Daily Papers

Sequential recommendation (SR) models capture continuously observed behavior, but a returning user may have no interactions for months or years. We define this setting as Zero-Observation Reactivation: the user has a pre-gap history, while the platform observes no behavioral signals during a macro-gap Delta t. Under a chronologically aligned Gap-Synthesize Protocol on three Amazon datasets (Video Games, CDs & Vinyl, and Movies & TV), Hit@10 decreases monotonically across the evaluated gap buckets and reaches its lowest level beyond one year. The pattern appears across recurrent, unidirectional, and bidirectional SR backbones. We propose DeltaGate, a lightweight output-layer plugin that keeps the backbone frozen and routes each representation dimension between the personalized history and a learned, zero-initialized global prior. The gate is conditioned jointly on Delta t and the personalized representation. In a controlled diagnostic, we hold the personalized representation fixed and vary Delta t to isolate the trained gate's response to the gap input. In the >365d Video Games bucket, DG-SASRec reaches 0.047 Hit@10 versus 0.031 for SASRec, while DG-BERT4Rec reaches 0.046 versus 0.025 for BERT4Rec, with 66K trainable parameters (2--4% overhead). End-to-end retraining attains higher absolute accuracy but changes the backbone embeddings; the frozen plugin preserves zero backbone drift, uses about 40x fewer trainable parameters, and retains observable dimension-wise routing. The source code is available at https://github.com/jdding/DeltaGate.

Large Language Model (LLM) agents are rapidly emerging as powerful systems for automating tasks across domains. Yet progress in the open-source community is constrained by the lack of high quality permissively licensed tool-agentic training data. Existing datasets are often limited in diversity, realism, and complexity, particularly regarding multi-tool and multi-turn interactions. To address this gap, we introduce Toucan, the largest publicly available tool-agentic dataset to date, containing 1.5 million trajectories synthesized from nearly 500 real-world Model Context Protocols (MCPs). Unlike prior work, Toucan leverages authentic MCP environments to generate diverse, realistic, and challenging tasks with trajectories involving real tool execution. Our pipeline first produces a broad spectrum of tool-use queries using five distinct models, applies model-based quality filtering, and then generates agentic trajectories with three teacher models using two agentic frameworks. Rigorous rule-based and model-based validation ensures high-quality outputs. We also introduce three extension mechanisms to further diversify tasks and simulate multi-turn conversations. Models fine-tuned on Toucan outperform larger closed-source counterparts on the BFCL V3 benchmark and push the Pareto frontier forward on MCP-Universe Bench.

The efficacy of diffusion models in generating a spectrum of data modalities, including images, text, and videos, has spurred inquiries into their utility in molecular generation, yielding significant advancements in the field. However, the molecular generation process with diffusion models involves multiple autoregressive steps over a finite time horizon, leading to exposure bias issues inherently. To address the exposure bias issue, we propose a training framework named GapDiff. The core idea of GapDiff is to utilize model-predicted conformations as ground truth probabilistically during training, aiming to mitigate the data distributional disparity between training and inference, thereby enhancing the affinity of generated molecules. We conduct experiments using a 3D molecular generation model on the CrossDocked2020 dataset, and the vina energy and diversity demonstrate the potency of our framework with superior affinity. GapDiff is available at https://github.com/HUGHNew/gapdiff.

Assessing whether a molecule can be synthesised is a primary task in drug discovery. It enables computational chemists to filter for viable compounds or bias molecular generative models. The notion of synthesisability is dynamic as it evolves depending on the availability of key compounds. A common approach in drug discovery involves exploring the chemical space surrounding synthetically-accessible intermediates. This strategy improves the synthesisability of the derived molecules due to the availability of key intermediates. Existing synthesisability scoring methods such as SAScore, SCScore and RAScore, cannot condition on intermediates dynamically. Our approach, Leap, is a GPT-2 model trained on the depth, or longest linear path, of predicted synthesis routes that allows information on the availability of key intermediates to be included at inference time. We show that Leap surpasses all other scoring methods by at least 5% on AUC score when identifying synthesisable molecules, and can successfully adapt predicted scores when presented with a relevant intermediate compound.

We introduce GAP-URGENet, a generative-predictive fusion framework developed for Track 1 of the ICASSP 2026 URGENT Challenge. The system integrates a generative branch, which performs full-stack speech restoration in a self-supervised representation domain and reconstructs the waveform via a neural vocoder, along with a predictive branch that performs spectrogram-domain enhancement, providing complementary cues. Outputs from both branches are fused by a post-processing module, which also performs bandwidth extension to generate the enhanced waveform at 48 kHz, later downsampled to the original sampling rate. This generative-predictive fusion improves robustness and perceptual quality, achieving top performance in the blind-test phase and ranking 1st in the objective evaluation. Audio examples are available at https://xiaobin-rong.github.io/gap-urgenet_demo.

Agent communication protocols are becoming critical infrastructure for large language model (LLM) systems that must use tools, coordinate with other agents, and operate across heterogeneous environments. This work presents a human-inspired perspective on this emerging landscape by organizing agent communication into three layers: communication, syntactic, and semantic. Under this framework, we systematically analyze 18 representative protocols and compare how they support reliable transport, structured interaction, and meaning-level coordination. Our analysis shows a clear imbalance in current protocol design. Most protocols provide increasingly mature support for transport, streaming, schema definition, and lifecycle management, but offer limited protocol-level mechanisms for clarification, context alignment, and verification. As a result, semantic responsibilities are often pushed into prompts, wrappers, or application-specific orchestration logic, creating hidden interoperability and maintenance costs. To make this gap actionable, we further identify major forms of technical debt in today's protocol ecosystem and distill practical guidance for selecting protocols under different deployment settings. We conclude by outlining a research agenda for interoperable, secure, and semantically robust agent ecosystems that move beyond message passing toward shared understanding.

Writing Answer Set Programming (ASP) theories from scratch is a difficult and time-consuming task. We take a neurosymbolic approach to study whether a model can distill complete and correct theories, given a fixed agent harness with the solver in the loop. The protocol is dataset-agnostic: with a single prompt and an empty file as the starting point the model is given a 1-hour time limit to derive a complete theory. We chose VQA as the application domain, three benchmarks (CLEVR, GQA, CLEVRER), as these are publicly available and non-trivial. In order to study the model scale required for solving this task we nine different models: four frontier (Claude Sonnet 4.6, Claude Opus 4.7, GPT-5, DeepSeek V4 Pro), two mid-tier (DeepSeek V4 Flash, gpt-oss-120b), and three open-weights (qwen3.6-27b, gpt-oss-20b, qwen3.5-9b). Three of four frontier models reach 100% on CLEVR and 92.8%-98.8% on GQA; on CLEVRER, Sonnet, Opus, DeepSeek V4 Pro score 92.7%-95.3%. GPT-5 reaches 98.7% on CLEVR but drops to 41.8% on GQA and to 86.7% on CLEVRER. Adding handwritten reference theories from other datasets moves the other three frontier models by at most +/-3.4 pp but reduces GPT-5's accuracy by 3-19 pp. We release the code, prompts, and theories distilled.

Variational Autoencoders (VAEs) frequently suffer from posterior collapse, a failure mode in which the approximate posterior converges to the prior, rendering the latent code uninformative. Despite extensive research, a unified account of why collapse occurs has remained an open question. We identify and formalize two logically independent but coupled causes. Gradient imbalance occurs when the decoder's reconstruction signal vanishes faster than the KL regularization pressure as the posterior widens. Information gap occurs when the stochastic sampling step discards a substantial fraction of the encoder's computed representation, attenuating decoder sensitivity and making collapse inexpensive. Both causes share the same collapse trajectory, and we show that the information gap is algebraically equivalent to mismatch between the aggregate posterior and the prior, unifying two pathologies. Subsequently, we introduce λ-VAE, which resolves both causes through a single modification to the reparameterization step: the sampling noise is scaled by per-dimension exponent, while the KL penalty retains the original posterior variance. This asymmetry shifts the stable training attractor away from the degenerate collapsed state, driving all latent dimensions toward the same equilibrium -- a mechanism we term variance equalization. A closed-form optimal exponent per dimension follows from a net information gain objective, with a single hyperparameter controlling the reconstruction-generation tradeoff. We validate on standard benchmarks (Binary MNIST, Binary Omniglot, CIFAR-10, CelebA-64), showing consistent reductions in collapsed dimensions, information capacity gains of up to 2.8times nats, and reconstruction quality improvements of up to +0.33 BPD.

A coding agent is a language model wrapped in a harness: the system prompt, the tool set, and the context management that turn a chat model into something that can work inside a repository. Production harnesses ship releases daily, vendors advertise pass-rate gains from harness changes, and leaderboards mix harnesses freely. What is rarely measured is how much the harness itself moves the score when the model is held fixed. We run five models through three production harnesses, Claude Code, mini-SWE-agent, and OpenCode, on SWE-bench Verified, and rerun the same configurations to calibrate how much a score moves when nothing changes but the run. On 447 tasks and the two models we ran there, Claude Code and mini-SWE-agent, the heaviest and the lightest harness, are equivalent within five points. On a 45-task hard subset and five models, swapping the harness flips as many tasks as rerunning the same harness, 13% in both cases, and the tasks a harness wins in one run are not the tasks it wins in the next. The one harness effect that clears the noise is a loss, not a gain: OpenCode trails by up to 9 points on the large pool, and on one model half of that gap sits in runs its output cap cut short. What the harness does decide is the bill. With the same model, the same tasks, and one price list, cost per task differs by up to 3x across harnesses. The gap is set at the first call, by the preamble of system prompt and tool schemas each harness sends with every step, and scaled by the number of steps; per-step growth and per-call tool output differ far less. The provider's price for cached input scales the bill and does not reorder it. The rerun data also give the resolution a harness comparison needs: at the discordance we observe, 45 tasks catch a 13-point gap only half the time and no gap with 80% power, and 447 tasks resolve 5 points, still coarser than the gains many harness changes claim.

A well-known pitfall of molecular generative models is that they are not guaranteed to generate synthesizable molecules. There have been considerable attempts to address this problem, but given the exponentially large combinatorial space of synthesizable molecules, existing methods have shown limited coverage of the space and poor molecular optimization performance. To tackle these problems, we introduce ReaSyn, a generative framework for synthesizable projection where the model explores the neighborhood of given molecules in the synthesizable space by generating pathways that result in synthesizable analogs. To fully utilize the chemical knowledge contained in the synthetic pathways, we propose a novel perspective that views synthetic pathways akin to reasoning paths in large language models (LLMs). Specifically, inspired by chain-of-thought (CoT) reasoning in LLMs, we introduce the chain-of-reaction (CoR) notation that explicitly states reactants, reaction types, and intermediate products for each step in a pathway. With the CoR notation, ReaSyn can get dense supervision in every reaction step to explicitly learn chemical reaction rules during supervised training and perform step-by-step reasoning. In addition, to further enhance the reasoning capability of ReaSyn, we propose reinforcement learning (RL)-based finetuning and goal-directed test-time compute scaling tailored for synthesizable projection. ReaSyn achieves the highest reconstruction rate and pathway diversity in synthesizable molecule reconstruction and the highest optimization performance in synthesizable goal-directed molecular optimization, and significantly outperforms previous synthesizable projection methods in synthesizable hit expansion. These results highlight ReaSyn's superior ability to navigate combinatorially-large synthesizable chemical space.

The foundation of reproducible science lies in protocols that are precise, logically ordered, and executable. The autonomous generation of these protocols through natural language queries could greatly improve the efficiency of the reproduction process. However, current leading large language models (LLMs) often generate incomplete or inconsistent protocols, limiting their utility. To address this limitation, we first introduce SciRecipe, a large-scale dataset of over 12K structured protocols spanning 27 biological subfields and encompassing both comprehension and problem-solving tasks. To further improve protocol generation, we propose the "Sketch-and-Fill" paradigm, which separates analysis, structuring, and expression to ensure each step is explicit and verifiable. Complementing this, the structured component-based reward mechanism evaluates step granularity, action order, and semantic fidelity, aligning model optimization with experimental reliability. Building on these components, we develop Thoth, trained through a staged Knowledge-to-Action process that progresses from knowledge acquisition to operational reasoning and ultimately to robust, executable protocol generation. Across multiple benchmarks, Thoth consistently surpasses both proprietary and open-source LLMs, achieving significant improvements in step alignment, logical sequencing, and semantic accuracy. Our approach paves the way for reliable scientific assistants that bridge knowledge with experimental execution. All data, code, and models will be released publicly.

Progress in computer-aided synthesis planning (CASP) is obscured by the lack of standardized evaluation infrastructure and the reliance on metrics that prioritize topological completion over chemical validity. We introduce RetroCast, a unified evaluation suite that standardizes heterogeneous model outputs into a common schema to enable statistically rigorous, apples-to-apples comparison. The framework includes a reproducible benchmarking pipeline with stratified sampling and bootstrapped confidence intervals, accompanied by SynthArena, an interactive platform for qualitative route inspection. We utilize this infrastructure to evaluate leading search-based and sequence-based algorithms on a new suite of standardized benchmarks. Our analysis reveals a divergence between "solvability" (stock-termination rate) and route quality; high solvability scores often mask chemical invalidity or fail to correlate with the reproduction of experimental ground truths. Furthermore, we identify a "complexity cliff" in which search-based methods, despite high solvability rates, exhibit a sharp performance decay in reconstructing long-range synthetic plans compared to sequence-based approaches. We release the full framework, benchmark definitions, and a standardized database of model predictions to support transparent and reproducible development in the field.

When an autonomous AI agent does something consequential, what can be proven about what it did? Agent-observability platforms capture traces, but a trace is mutable: alterable undetected, with no recipe for re-executing it, silent on whether captured secrets were removed. Regulation (EU AI Act, ISO 42001, NIST AI RMF) presumes records an independent party can check. We present NovaFabric, producing audit-grade execution evidence: provider-neutral, tamper-evident, replayable, shareable. It records an agent run, without modifying agent logic, into a portable Run Capsule (fifteen-entity schema), sealed with a holistic DSSE signature, RFC 3161 timestamp, Merkle log and redaction attestation. Sealed runs are re-executable under a four-mode replay protocol and exportable as an Evidence Bundle for third-party verification with stock tooling (specified, not evaluated). The contribution is integration, not new cryptography: OpenTelemetry, DSSE/in-toto and W3C PROV. We evaluate eight research questions at measured scope. Mocked replay serves every model response from the capsule (no live model call, 10/10) but is offline w.r.t. models, not the network; only 2/10 tool-using workloads completed; the gap is missing tool-response substitution. Tampering is rejected across three tested classes. Declared-stream completeness is 0.652 (95% CI +/-0.064, ten scenarios). A repaired rule pack redacts 14/14 credential types, preserving 9/9 decoys; diff localises 140/140 mutations. Blast-radius queries: 45.5ms p99 over 10M edges (3.3x faster than a columnar baseline), 167.9ms over 100M (1 client, n=30). A 314-machine, ten-region run finds capsule REST ingest lossless but capped at 61.6 req/s (p99 26.8s) by per-worker serialisation. Six defects found in NovaFabric and its evaluation corpus: four fixed, one withdrawn, one open. Verification is conditional on a stated trusted computing base.

Constrained synthesizability is an unaddressed challenge in generative molecular design. In particular, designing molecules satisfying multi-parameter optimization objectives, while simultaneously being synthesizable and enforcing the presence of specific commercial building blocks in the synthesis. This is practically important for molecule re-purposing, sustainability, and efficiency. In this work, we propose a novel reward function called TANimoto Group Overlap (TANGO), which uses chemistry principles to transform a sparse reward function into a dense and learnable reward function -- crucial for reinforcement learning. TANGO can augment general-purpose molecular generative models to directly optimize for constrained synthesizability while simultaneously optimizing for other properties relevant to drug discovery using reinforcement learning. Our framework is general and addresses starting-material, intermediate, and divergent synthesis constraints. Contrary to most existing works in the field, we show that incentivizing a general-purpose (without any inductive biases) model is a productive approach to navigating challenging optimization scenarios. We demonstrate this by showing that the trained models explicitly learn a desirable distribution. Our framework is the first generative approach to tackle constrained synthesizability.

Multi-center positron emission tomography (PET) image synthesis aims at recovering low-dose PET images from multiple different centers. The generalizability of existing methods can still be suboptimal for a multi-center study due to domain shifts, which result from non-identical data distribution among centers with different imaging systems/protocols. While some approaches address domain shifts by training specialized models for each center, they are parameter inefficient and do not well exploit the shared knowledge across centers. To address this, we develop a generalist model that shares architecture and parameters across centers to utilize the shared knowledge. However, the generalist model can suffer from the center interference issue, i.e. the gradient directions of different centers can be inconsistent or even opposite owing to the non-identical data distribution. To mitigate such interference, we introduce a novel dynamic routing strategy with cross-layer connections that routes data from different centers to different experts. Experiments show that our generalist model with dynamic routing (DRMC) exhibits excellent generalizability across centers. Code and data are available at: https://github.com/Yaziwel/Multi-Center-PET-Image-Synthesis.

Diffusion models have demonstrated remarkable capabilities in generating high-quality samples and enhancing performance across diverse domains through Classifier-Free Guidance (CFG). However, the quality of generated samples is highly sensitive to the selection of the guidance weight. In this work, we identify a critical ``training-inference gap'' and we argue that it is the presence of this gap that undermines the performance of conditional generation and renders outputs highly sensitive to the guidance weight. We quantify this gap by measuring the accumulated error during the inference stage and establish a correlation between the selection of guidance weight and minimizing this gap. Furthermore, to mitigate this gap, we propose DiffIER, an optimization-based method for high-quality generation. We demonstrate that the accumulated error can be effectively reduced by an iterative error minimization at each step during inference. By introducing this novel plug-and-play optimization framework, we enable the optimization of errors at every single inference step and enhance generation quality. Empirical results demonstrate that our proposed method outperforms baseline approaches in conditional generation tasks. Furthermore, the method achieves consistent success in text-to-image generation, image super-resolution, and text-to-speech generation, underscoring its versatility and potential for broad applications in future research.

The pursuit of a universal AI-generated image (AIGI) detector often relies on aggregating data from numerous generators to improve generalization. However, this paper identifies a paradoxical phenomenon we term the Benefit then Conflict dilemma, where detector performance stagnates and eventually degrades as source diversity expands. Our systematic analysis, diagnoses this failure by identifying two core issues: severe data-level heterogeneity, which causes the feature distributions of real and synthetic images to increasingly overlap, and a critical model-level bottleneck from fixed, pretrained encoders that cannot adapt to the rising complexity. To address these challenges, we propose Generator-Aware Prototype Learning (GAPL), a framework that constrain representation with a structured learning paradigm. GAPL learns a compact set of canonical forgery prototypes to create a unified, low-variance feature space, effectively countering data heterogeneity.To resolve the model bottleneck, it employs a two-stage training scheme with Low-Rank Adaptation, enhancing its discriminative power while preserving valuable pretrained knowledge. This approach establishes a more robust and generalizable decision boundary. Through extensive experiments, we demonstrate that GAPL achieves state-of-the-art performance, showing superior detection accuracy across a wide variety of GAN and diffusion-based generators. Code is available at https://github.com/UltraCapture/GAPL

For robots to work reliably in commercial and industrial applications, can recent advances in agentic coding systems combine interpretable robot programming with the open-world adaptability of model-free policies? We focus on "Variational Automation" (VA), a class of tasks that have larger variations in object geometry and pose than fixed automation. Model-free policies often struggle to close the reliability gap for VA tasks, which must be executed persistently and reliably in commercial and industrial applications. Motivated by prior work on Task and Motion Planning (TAMP) and the Robot Operating System (ROS), we introduce Graph-as-Policy (GaP), a multi-agent coding harness that generates directed computation graphs with perception, planning, and control nodes from a Modular Open Robot Skill Library (MORSL). GaP then generates an internal simulation environment to rehearse task instances with different graphs in parallel to iteratively refine the graph structure and parameters to improve success rates and throughput. Evaluation with 8 new open VA task benchmarks, 4 in-simulation and 4 in real-world, suggests that GaP can achieve success rates that significantly outperform baselines. Details, code, and data can be found online: https://graph-robots.github.io/gap

This paper presents a comprehensive systematic review of generative models (GANs, VAEs, DMs, and LLMs) used to synthesize various medical data types, including imaging (dermoscopic, mammographic, ultrasound, CT, MRI, and X-ray), text, time-series, and tabular data (EHR). Unlike previous narrowly focused reviews, our study encompasses a broad array of medical data modalities and explores various generative models. Our search strategy queries databases such as Scopus, PubMed, and ArXiv, focusing on recent works from January 2021 to November 2023, excluding reviews and perspectives. This period emphasizes recent advancements beyond GANs, which have been extensively covered previously. The survey reveals insights from three key aspects: (1) Synthesis applications and purpose of synthesis, (2) generation techniques, and (3) evaluation methods. It highlights clinically valid synthesis applications, demonstrating the potential of synthetic data to tackle diverse clinical requirements. While conditional models incorporating class labels, segmentation masks and image translations are prevalent, there is a gap in utilizing prior clinical knowledge and patient-specific context, suggesting a need for more personalized synthesis approaches and emphasizing the importance of tailoring generative approaches to the unique characteristics of medical data. Additionally, there is a significant gap in using synthetic data beyond augmentation, such as for validation and evaluation of downstream medical AI models. The survey uncovers that the lack of standardized evaluation methodologies tailored to medical images is a barrier to clinical application, underscoring the need for in-depth evaluation approaches, benchmarking, and comparative studies to promote openness and collaboration.

When researchers ask whether two transformer layers are "equivalent" for compression, they often conflate distinct tests. Replacement asks whether one layer's map can substitute for another's in place; interchange asks whether two layers approximately commute when their positions are swapped. Both are output-grounded swap-KL probes, but they need not agree: on pretrained transformers the protocol gap can change which layers look safe to prune by several-fold under the same evaluator, especially when replacement distances are high. We measure both protocols across checkpoints and architectures. On a Pythia training trajectory (410M and 1.4B), the replacement-interchange gap grows from initialization to convergence. Under one matched WikiText-2 contract at 8B scale, Qwen3-8B enters a divergent regime: interchange-guided removal is several-fold safer than replacement-guided at the same layer budgets, while Llama-3.1-8B ties the two protocols for pruning cost even though interchange KL is lower, showing metric gaps need not map one-to-one to removal. Before layer removal or merging, score both swap-KLs on the target checkpoint; the diagnostic requires only unlabeled forward passes.

Scientific laboratories increasingly rely on AI systems to reason about experiments, but the physical act of doing science remains largely outside their reach. AI can help read literature, generate hypotheses, and plan protocols, yet the execution of those protocols at the bench still requires a human operator. Vision-Language-Action (VLA) models provide one possible interface between written protocols and robot execution, but existing policies are trained mostly on household and tabletop demonstrations and rarely encounter the instruments, transparent liquids, or fixed protocol workflows found in scientific laboratories. Closing this gap requires both laboratory-specific supervision and a unified learning framework that can accommodate the diverse robot embodiments used to execute experimental protocols. We therefore identify data and embodiment as central bottlenecks alongside model design. To address the data side, we build RoboGenesis, a simulation-based workflow and data engine that composes configured laboratory workflows from atomic skills, validates and filters rollouts, and exports structured demonstrations across supported robot profiles. On the policy side, we present LabVLA, trained with a two-stage recipe: FAST action token pretraining first makes the Qwen3-VL-4B-Instruct backbone action aware before any continuous control is learned, and flow matching posttraining then attaches a DiT action expert under knowledge insulation. On the LabUtopia benchmark, LabVLA achieves the highest average success rate among all evaluated baselines under both in-distribution and out-of-distribution settings.

As large language model (LLM) agents evolve from isolated tool users into coordinated teams, reinforcement learning (RL) must optimize not only individual actions but also how work is spawned, delegated, communicated, aggregated, and stopped. This paper studies RL for LLM-based multi-agent systems through orchestration traces: temporal interaction graphs whose events include sub-agent spawning, delegation, communication, tool use, return, aggregation, and stopping decisions. Using this lens, we identify three technical axes. First, reward design spans eight families, including orchestration rewards for parallelism speedup, split correctness, and aggregation quality. Second, reward and credit signals attach to eight credit- or signal-bearing units from token to team; explicit counterfactual message-level credit remains especially sparse in our curated pool. Third, orchestration learning decomposes into five sub-decisions: when to spawn, whom to delegate to, how to communicate, how to aggregate, and when to stop. In our curated pool as of May 4, 2026, we found no explicit RL training method for the stopping decision. We connect academic methods to public industrial evidence from Kimi Agent Swarm, OpenAI Codex, and Anthropic Claude Code. The resulting scale gap is a gap between publicly reported deployment envelopes and open academic evaluation regimes, not independent verification of industrial training traces. We release the artifact at https://github.com/xxzcc/awesome-llm-mas-rl, including an 84-entry tagged paper pool, a 32-record exclusion log, scripted corpus statistics, and a minimal JSON schema for replayable orchestration traces.

*Data Synthesis* is a promising way to train a small model with very little labeled data. One approach for data synthesis is to leverage the rich knowledge from large language models to synthesize pseudo training examples for small models, making it possible to achieve both data and compute efficiency at the same time. However, a key challenge in data synthesis is that the synthesized dataset often suffers from a large distributional discrepancy from the *real task* data distribution. Thus, in this paper, we propose *Synthesis Step by Step* (**S3**), a data synthesis framework that shrinks this distribution gap by iteratively extrapolating the errors made by a small model trained on the synthesized dataset on a small real-world validation dataset using a large language model. Extensive experiments on multiple NLP tasks show that our approach improves the performance of a small model by reducing the gap between the synthetic dataset and the real data, resulting in significant improvement compared to several baselines: 9.48% improvement compared to ZeroGen and 2.73% compared to GoldGen, and at most 15.17% improvement compared to the small model trained on human-annotated data.

Designing molecules that are both property-optimal and readily synthesizable is a central challenge in drug discovery. Existing works that do consider synthesizability can jointly output predicted synthesis routes for generated molecules. However, there has been minimal attention in addressing the ease of synthesis and with flexibility to incorporate desired reaction constraints. On the other hand, virtual screening searches for commercially available compounds, but imposes challenges when scaling to ultra-large (billion-size and beyond) chemical spaces. Here, we propose a generative design framework that unifies synthesis-constrained molecular design and ultra-large-scale virtual screening through steerable and granular synthesizability control. Generated molecules satisfy arbitrary multi-parameter optimization objectives with predicted synthesis routes satisfying mix-and-match constraints: including or avoiding certain reactions, incorporating specific building blocks, and minimizing synthesis route length. In an end-to-end in-house campaign targeting BRD4, we designed molecules synthesizable with specific selected reactions and building blocks, synthesized all six selected compounds, and identified two micromolar binders. We further demonstrate that reaction control enables efficient navigation of ultra-large make-on-demand chemical spaces to identify property-optimal candidates. By applying our framework to Chemspace's Freedom 4.0 make-on-demand space (142 billion molecules), we generated ~320k molecules (0.00023% of the library) on a single consumer-grade GPU (with only 8 GB GPU memory) and identified a micromolar Wee1 binder amongst 60 synthesized candidates. The single unified framework thus enables generating novel synthesizable molecules and retrieving catalogue-ready candidates, offering a flexible solution to mitigating the synthesizability bottleneck.

Background: Deep learning models are typically trained using stochastic gradient descent or one of its variants. These methods update the weights using their gradient, estimated from a small fraction of the training data. It has been observed that when using large batch sizes there is a persistent degradation in generalization performance - known as the "generalization gap" phenomena. Identifying the origin of this gap and closing it had remained an open problem. Contributions: We examine the initial high learning rate training phase. We find that the weight distance from its initialization grows logarithmically with the number of weight updates. We therefore propose a "random walk on random landscape" statistical model which is known to exhibit similar "ultra-slow" diffusion behavior. Following this hypothesis we conducted experiments to show empirically that the "generalization gap" stems from the relatively small number of updates rather than the batch size, and can be completely eliminated by adapting the training regime used. We further investigate different techniques to train models in the large-batch regime and present a novel algorithm named "Ghost Batch Normalization" which enables significant decrease in the generalization gap without increasing the number of updates. To validate our findings we conduct several additional experiments on MNIST, CIFAR-10, CIFAR-100 and ImageNet. Finally, we reassess common practices and beliefs concerning training of deep models and suggest they may not be optimal to achieve good generalization.

CLI-based software-engineering agents have matured rapidly, yet the open ecosystem has converged on a single training environment: trajectory datasets used to fine-tune open models are collected almost exclusively under OpenHands. Models fine-tuned on this data score well under OpenHands but degrade substantially when deployed under any non-training scaffold. Untrained base models do not show this divergence, indicating the gap is fine-tuning-induced and tied to the conventions of the training scaffold. We argue that a load-bearing scaffold-specific behavior is planning structure, in two senses this paper distinguishes: explicit planning, a pre-execution plan produced as a first-class artifact, and implicit planning, the structural conventions that shape execution throughout the agent loop. Under this hypothesis, closing the gap requires moving planning from a fixed scaffold artifact to a learned model capability. We introduce Decoupling CLI Agent Scaffolding (DCAS), a backend-substitution interception layer that routes API traffic between any CLI scaffold and any backend model without modifying the scaffold, enabling cross-scaffold evaluation and planning-aware trajectory collection. Using DCAS, a controlled plan-source intervention confirms planning quality is a high-leverage component, with gains exceeding the cross-scaffold drops we observe. A model fine-tuned on a small set of DCAS-collected planning-aware trajectories under a single scaffold gains consistently across non-training scaffolds, and the two senses of planning are empirically separable in training data.

One of the grand challenges of deep learning is the requirement to obtain large labeled training data sets. While synthesized data sets can be used to overcome this challenge, it is important that these data sets close the reality gap, i.e., a model trained on synthetic image data is able to generalize to real images. Whereas, the reality gap can be considered bridged in several application scenarios, training on synthesized images containing reflecting materials requires further research. Since the appearance of objects with reflecting materials is dominated by the surrounding environment, this interaction needs to be considered during training data generation. Therefore, within this paper we examine the effect of reflecting materials in the context of synthetic image generation for training object detectors. We investigate the influence of rendering approach used for image synthesis, the effect of domain randomization, as well as the amount of used training data. To be able to compare our results to the state-of-the-art, we focus on indoor scenes as they have been investigated extensively. Within this scenario, bathroom furniture is a natural choice for objects with reflecting materials, for which we report our findings on real and synthetic testing data.

Human supervisors rely on coding agents' reports to assess progress, verify repairs, and decide when to intervene. But a supervisor cannot investigate a failure they were never told occurred. Failed attempts, workarounds, and unresolved risks may disappear from routine reports, leaving supervisors unaware of issues that warrant scrutiny. We conduct CTXGAP, a measurement study quantifying the gap in task-state recoverability between agents' accumulated user-facing reports and their full recorded execution contexts. Across 37 coding tasks and 4,799 valid probes, agents answer 93.6% of task-state questions on demand; full-context readers recover 92.7%, while report-only readers recover 52.0%, a 40.7-point gap. At the final checkpoints of 30 verified fixes, the gap remains 34.8 points. Human annotation identifies states mentioned without enough supporting detail as the largest category of unrecovered information, and model-assessed supervision-relevant states retain substantial gaps. Full terminal scrollback improves recovery to 73.6% but still trails full context. Under matched report lengths, context-informed rewrites improve recovery by about eight points, without a detectable targeted-over-natural advantage. Positive gaps persist across harnesses and independent DeepSeek execution and measurement. CTXGAP establishes report-based task-state recoverability as a complementary evaluation dimension.

Audio inpainting aims to reconstruct missing segments in corrupted recordings. Most of existing methods produce plausible reconstructions when the gap lengths are short, but struggle to reconstruct gaps larger than about 100 ms. This paper explores recent advancements in deep learning and, particularly, diffusion models, for the task of audio inpainting. The proposed method uses an unconditionally trained generative model, which can be conditioned in a zero-shot fashion for audio inpainting, and is able to regenerate gaps of any size. An improved deep neural network architecture based on the constant-Q transform, which allows the model to exploit pitch-equivariant symmetries in audio, is also presented. The performance of the proposed algorithm is evaluated through objective and subjective metrics for the task of reconstructing short to mid-sized gaps, up to 300 ms. The results of a formal listening test show that the proposed method delivers comparable performance against the compared baselines for short gaps, such as 50 ms, while retaining a good audio quality and outperforming the baselines for wider gaps that are up to 300 ms long. The method presented in this paper can be applied to restoring sound recordings that suffer from severe local disturbances or dropouts, which must be reconstructed.

Data teams at frontier AI companies routinely train small proxy models to make critical decisions about pretraining data recipes for full-scale training runs. However, the community has a limited understanding of whether and when conclusions drawn from small-scale experiments reliably transfer to full-scale model training. In this work, we uncover a subtle yet critical issue in the standard experimental protocol for data recipe assessment: the use of identical small-scale model training configurations across all data recipes in the name of "fair" comparison. We show that the experiment conclusions about data quality can flip with even minor adjustments to training hyperparameters, as the optimal training configuration is inherently data-dependent. Moreover, this fixed-configuration protocol diverges from full-scale model development pipelines, where hyperparameter optimization is a standard step. Consequently, we posit that the objective of data recipe assessment should be to identify the recipe that yields the best performance under data-specific tuning. To mitigate the high cost of hyperparameter tuning, we introduce a simple patch to the evaluation protocol: using reduced learning rates for proxy model training. We show that this approach yields relative performance that strongly correlates with that of fully tuned large-scale LLM pretraining runs. Theoretically, we prove that for random-feature models, this approach preserves the ordering of datasets according to their optimal achievable loss. Empirically, we validate this approach across 23 data recipes covering four critical dimensions of data curation, demonstrating dramatic improvements in the reliability of small-scale experiments.

Generative tabular augmentation is appealing in data-scarce domains, yet the prevailing focus on distributional fidelity does not reliably translate into better downstream models. We formalize a fidelity-utility gap: common generative objectives prioritize distributional plausibility, whereas augmentation succeeds only when injected samples reduce the current learner's held-out evaluation loss. This gap motivates learning not just how to generate, but what to generate and when to inject as training evolves. We propose TAP (Tabular Augmentation Policy), which couples diffusion inpainting with a lightweight, learner-conditioned policy to steer generation toward high-utility regions and controls safe injection via explicit gating and conservative windowed commitment. Under severe data scarcity, TAP consistently outperforms strong generative baselines on seven real-world datasets, improving classification accuracy by up to 15.6 percentage points and reducing regression RMSE by up to 32%.

Recent domain generalization (DG) approaches typically use the hypothesis learned on source domains for inference on the unseen target domain. However, such a hypothesis can be arbitrarily far from the optimal one for the target domain, induced by a gap termed ``adaptivity gap''. Without exploiting the domain information from the unseen test samples, adaptivity gap estimation and minimization are intractable, which hinders us to robustify a model to any unknown distribution. In this paper, we first establish a generalization bound that explicitly considers the adaptivity gap. Our bound motivates two strategies to reduce the gap: the first one is ensembling multiple classifiers to enrich the hypothesis space, then we propose effective gap estimation methods for guiding the selection of a better hypothesis for the target. The other method is minimizing the gap directly by adapting model parameters using online target samples. We thus propose Domain-specific Risk Minimization (DRM). During training, DRM models the distributions of different source domains separately; for inference, DRM performs online model steering using the source hypothesis for each arriving target sample. Extensive experiments demonstrate the effectiveness of the proposed DRM for domain generalization with the following advantages: 1) it significantly outperforms competitive baselines on different distributional shift settings; 2) it achieves either comparable or superior accuracies on all source domains compared to vanilla empirical risk minimization; 3) it remains simple and efficient during training, and 4) it is complementary to invariant learning approaches.

Modern T2V/I2V generators synthesize people increasingly hard to distinguish from authentic footage, while current evaluation suites lag: legacy benchmarks target manipulation-based forgeries, and recent synthetic-video benchmarks prioritize scale over realistic human depiction. We introduce SynthForensics, a people-centric benchmark of 20{,}445 videos from 8 T2V and 7 I2V open-source generators, paired-source from FF++/DFD reals, two-stage human-validated, in four compression versions with full metadata. In our paired-comparison human study, raters prefer SynthForensics in 71--77% of head-to-head comparisons against each of nine existing synthetic-video benchmarks, while facial-quality metrics fall within the FF++/DFD baseline range. Across 15 detectors and three protocols, face-based methods drop 13--55 AUC points (mean 27) from FF++ to SynthForensics and a further 23 under aggressive compression; fine-tuning closes the gap at a backward cost on legacy benchmarks; training from scratch shows synthetic and manipulation features largely disjoint for most detectors. We release dataset, pipeline, and code.

We present the Consilium Protocol, a Byzantine Fault Tolerance-derived architecture for structured multi-model AI deliberation that treats inter-model disagreement as epistemic signal rather than error. The protocol assigns engineered cognitive personas to language models -- separating what a model is from how it reasons -- and introduces an In-Sample/Out-of-Sample validation framework adapted from quantitative finance to distinguish training-data consensus from empirically grounded conclusions. Across 1,478 deliberation sessions spanning 32 topics in 10 domain categories, we demonstrate that (1) the cognitive persona, not the underlying model, determines epistemic behavior: free edge-inference models costing 0.0002 USD per batch produced comparable analytical output to frontier models costing 10.69 USD; (2) RLHF alignment training creates measurable, domain-specific epistemic blind spots -- contested policy topics exhibit 12.3 percentage points less adversarial challenge than settled science topics, and AI safety topics show asymmetric bias (Δ=11.6%) where models challenge claims that AI is dangerous far more vigorously than claims that AI risk is overstated; (3) the protocol exhibits no directional bias of its own (immigration Δ=2.3%, renewables Δ=1.2%); and (4) out-of-sample evidence retrieval validated 239 claims with 100% evidence retrieval and surfaced 167 blind-spot discoveries invisible to training-data deliberation. Run-to-run reproducibility across randomized modeltimespersona assignments averages pm2.2% standard deviation. Total cost for the complete battery including all overhead: 217 USD. We release the protocol specification under MIT license to enable independent verification.

Recently, 3D generative models have shown promising performances in structure-based drug design by learning to generate ligands given target binding sites. However, only modeling the target-ligand distribution can hardly fulfill one of the main goals in drug discovery -- designing novel ligands with desired properties, e.g., high binding affinity, easily synthesizable, etc. This challenge becomes particularly pronounced when the target-ligand pairs used for training do not align with these desired properties. Moreover, most existing methods aim at solving de novo design task, while many generative scenarios requiring flexible controllability, such as R-group optimization and scaffold hopping, have received little attention. In this work, we propose DecompOpt, a structure-based molecular optimization method based on a controllable and decomposed diffusion model. DecompOpt presents a new generation paradigm which combines optimization with conditional diffusion models to achieve desired properties while adhering to the molecular grammar. Additionally, DecompOpt offers a unified framework covering both de novo design and controllable generation. To achieve so, ligands are decomposed into substructures which allows fine-grained control and local optimization. Experiments show that DecompOpt can efficiently generate molecules with improved properties than strong de novo baselines, and demonstrate great potential in controllable generation tasks.

Synthesizability remains a critical bottleneck in generative molecular design. While recent advances have addressed synthesizability in 2D graphs, extending these constraints to 3D for geometry-based conditional generation remains largely unexplored. In this work, we present SynCoGen (Synthesizable Co-Generation), a single framework that combines simultaneous masked graph diffusion and flow matching for synthesizable 3D molecule generation. SynCoGen samples from the joint distribution of molecular building blocks, chemical reactions, and atomic coordinates. To train the model, we curated SynSpace, a dataset family containing over 1.2M synthesis-aware building block graphs and 7.5M conformers. SynCoGen achieves state-of-the-art performance in unconditional small molecule graph and conformer co-generation. For protein ligand generation in drug discovery, the amortized model delivers superior performance in both molecular linker design and pharmacophore-conditioned generation across diverse targets without relying on any scoring functions. Overall, this multimodal non-autoregressive formulation represents a foundation for a range of molecular design applications, including analog expansion, lead optimization, and direct de novo design.

How do you validate a cheap, deterministic proxy for an oracle that is expensive, rate-limited, and non-stationary? We present a protocol built on adversarial falsification gates (negative control, dose response, bounded amplification, duplication penalty, length neutrality) that define and select the proxy, fitted on a training split and confirmed held-out; around them it bounds what the proxy can never resolve, and re-measures external causal evidence on the current oracle rather than assuming it. We demonstrate it end to end on Generative Engine Optimization, where the proxy is a deterministic content score, and one step fails on that domain exactly as the protocol is built to detect: re-measuring the only published causal anchors (2023 effect sizes) on ten modern engine families shows their levers move citation on none, so the anchors are an expired external check; recalibrating to the near-zero modern vector strips the score of its lever-responsive components. What survives is the gate-enforced response surface. The gates buy a measured property: on a 500-source benchmark of adversarial edits, amplifying the score's calibrated levers gains an attacker at most 6 points, and decreases with dose; single-lever amplification is provably bounded, while the cap and cross-lever sub-additivity are empirical findings consistent with it. On detection, web-spam baselines dominate and out-of-distribution attacks evade the score, so the deployable filter layers it over them. A query-conditioned skyline bounds the score's citation signal (within-query Spearman 0.11), repositioning query-agnostic scores as quality filters rather than citation predictors. A query-leakage bug in our first ranking evaluation and a failed confidence flag are disclosed and corrected; every number reproduces offline from released artifacts at zero marginal API cost.

The consensus that GCN, GraphSAGE, GAT, and EvolveGCN outperform feature-only baselines on the Elliptic Bitcoin Dataset is widely cited but has not been rigorously stress-tested under a leakage-free evaluation protocol. We perform a seed-matched inductive-versus-transductive comparison and find that this consensus does not hold. Under a strictly inductive protocol, Random Forest on raw features achieves F1 = 0.821 and outperforms all evaluated GNNs, while GraphSAGE reaches F1 = 0.689 +/- 0.017. A paired controlled experiment reveals a 39.5-point F1 gap attributable to training-time exposure to test-period adjacency. Additionally, edge-shuffle ablations show that randomly wired graphs outperform the real transaction graph, indicating that the dataset's topology can be misleading under temporal distribution shift. Hybrid models combining GNN embeddings with raw features provide only marginal gains and remain substantially below feature-only baselines. We release code, checkpoints, and a strict-inductive protocol to enable reproducible, leakage-free evaluation.

Recently, 3D reconstruction and generation have demonstrated impressive novel view synthesis results, achieving high fidelity and efficiency. However, a notable conditioning gap can be observed between these two fields, e.g., scalable 3D scene reconstruction often requires densely captured views, whereas 3D generation typically relies on a single or no input view, which significantly limits their applications. We found that the source of this phenomenon lies in the misalignment between 3D constraints and generative priors. To address this problem, we propose a reconstruction-driven video diffusion model that learns to condition video frames on artifact-prone RGB-D renderings. Moreover, we propose a cyclical fusion pipeline that iteratively adds restoration frames from the generative model to the training set, enabling progressive expansion and addressing the viewpoint saturation limitations seen in previous reconstruction and generation pipelines. Our evaluation, including view synthesis from sparse view and masked input, validates the effectiveness of our approach. More details at https://genfusion.sibowu.com.

Computer-aided synthesis planning (CASP) has long been envisioned as a complementary tool for synthetic chemists. However, existing frameworks often lack mechanisms to allow interaction with human experts, limiting their ability to integrate chemists' insights. In this work, we introduce Synthelite, a synthesis planning framework that uses large language models (LLMs) to directly propose retrosynthetic transformations. Synthelite can generate end-to-end synthesis routes by harnessing the intrinsic chemical knowledge and reasoning capabilities of LLMs, while allowing expert intervention through natural language prompts. Our experiments demonstrate that Synthelite can flexibly adapt its planning trajectory to diverse user-specified constraints, achieving up to 95\% success rates in both strategy-constrained and starting-material-constrained synthesis tasks. Additionally, Synthelite exhibits the ability to account for chemical feasibility during route design. We envision Synthelite to be both a useful tool and a step toward a paradigm where LLMs are the central orchestrators of synthesis planning.

Polymarket has emerged as a prominent prediction market platform and one of the fastest-growing applications in DeFi. To achieve low-latency trading, it adopts a hybrid architecture that matches orders off-chain but settles them on-chain for final execution. This design creates a consistency gap we call Ghost Fills: an order that is successfully matched off-chain may later fail during on-chain settlement. To understand the security implications of this gap, we investigate such failed settlements by building GHOSTHUNTER, which reconstructs them from on-chain traces and attributes to concrete attack patterns. Across 1,952,440 reverted match-order transactions, we find that attackers exploit the time gap between matching and settlement to invalidate already matched orders before they are finalized on-chain. We then identify four attack vectors from these incidents: nonce bump, balance drain, allowance revoke, and proxy trap, realized via 35 evolving variants. These vectors allow attackers to selectively revert 980,133 filled orders, enabling risk-free prediction, arbitrage-bot hunting, and liquidity reward manipulation, realizing at least \1.49M in profit, which places 1.78 B USD at risk and 2.17 M POL (about \212 K) paid by operator. During peak hours, more than 24.3% of all filled orders reverted, causing de facto DoS attacks. We also find that code derived from the flawed contract still appears in 167 independent contracts across 10 chains holding at least 23 M in user funds, extending the impact beyond Polymarket. We have disclosed our evidence to affected parties, and the issue has been partially mitigated.

Recent synthetic 3D human datasets for the face, body, and hands have pushed the limits on photorealism. Face recognition and body pose estimation have achieved state-of-the-art performance using synthetic training data alone, but for the hand, there is still a large synthetic-to-real gap. This paper presents the first systematic study of the synthetic-to-real gap of 3D hand pose estimation. We analyze the gap and identify key components such as the forearm, image frequency statistics, hand pose, and object occlusions. To facilitate our analysis, we propose a data synthesis pipeline to synthesize high-quality data. We demonstrate that synthetic hand data can achieve the same level of accuracy as real data when integrating our identified components, paving the path to use synthetic data alone for hand pose estimation. Code and data are available at: https://github.com/delaprada/HandSynthesis.git.

As large-scale multi-agent systems evolve, the communication protocol layer has become a critical yet under-evaluated factor shaping performance and reliability. Despite the existence of diverse protocols (A2A, ACP, ANP, Agora, etc.), selection is often intuition-driven and lacks standardized guidance. We introduce ProtocolBench, a benchmark that systematically compares agent protocols along four measurable axes: task success, end-to-end latency, message or byte overhead, and robustness under failures. On ProtocolBench, protocol choice significantly influences system behavior. In the Streaming Queue scenario, overall completion time varies by up to 36.5% across protocols, and mean end-to-end latency differs by 3.48 s. Under Fail-Storm Recovery, resilience also differs consistently across protocols. Beyond evaluation, we present ProtocolRouter, a learnable protocol router that selects per-scenario (or per-module) protocols from requirement and runtime signals. ProtocolRouter reduces Fail-Storm recovery time by up to 18.1% versus the best single-protocol baseline, and achieves scenario-specific gains such as higher success in GAIA. We also release ProtocolRouterBench to standardize protocol evaluation and improve reliability at scale.

In many real-world applications, deep neural networks are retrained from scratch as a dataset grows in size. Given the computational expense for retraining networks, it has been argued that continual learning could make updating networks more efficient. An obstacle to achieving this goal is the stability gap, which refers to an observation that when updating on new data, performance on previously learned data degrades before recovering. Addressing this problem would enable learning new data with fewer network updates, resulting in increased computational efficiency. We study how to mitigate the stability gap. We test a variety of hypotheses to understand why the stability gap occurs. This leads us to discover a method that vastly reduces this gap. In large-scale class incremental learning experiments, we are able to significantly reduce the number of network updates needed for continual learning. Our work has the potential to advance the state-of-the-art in continual learning for real-world applications along with reducing the carbon footprint required to maintain updated neural networks.

LLM coding agents issue Bash commands through interfaces that may serialize, wrap, and reparse model output. Matched execution scores alone cannot distinguish command-generation errors from failures introduced after generation. QuoteBench measures this boundary with exact final-state validation on 56 one-shot tasks from 14 incident-derived families, crossing the generation contract with the execution transport around one deliberately unescaped added parser. Escaping at the interpolation point reproduces each replayed reply's raw-path outcome, so any recovery under a disclosed boundary must come from the model changing its generation. Across eight same-window configurations, replaying the same reply through the added parser lowers success by 55.4 to 73.2 percentage points; disclosure recovers 30.4 to 60.7 points for six configurations, and zero or slightly negative for the other two. Raw generation is nearly saturated at the frontier; boundary adaptation is what still separates models. GPT-5.6-sol's matched gap of -3.6 points hides -64.3 points of damage and +60.7 points of compensation. The deployment configuration reorders models: one reversal among 26 comparable pairs is unambiguous and four more sit on single-task margins. Evaluations of command-issuing agents should report the model configuration, generation contract, execution path, operating point, and final-state validator rather than treat a matched score as an intrinsic model property.

The fundamental success of large language models hinges upon the efficacious implementation of large-scale distributed training techniques. Nevertheless, building a vast, high-performance cluster featuring high-speed communication interconnectivity is prohibitively costly, and accessible only to prominent entities. In this work, we aim to lower this barrier and democratize large-scale training with limited bandwidth clusters. We propose a new approach called CO2 that introduces local-updating and asynchronous communication to the distributed data-parallel training, thereby facilitating the full overlap of COmunication with COmputation. CO2 is able to attain a high scalability even on extensive multi-node clusters constrained by very limited communication bandwidth. We further propose the staleness gap penalty and outer momentum clipping techniques together with CO2 to bolster its convergence and training stability. Besides, CO2 exhibits seamless integration with well-established ZeRO-series optimizers which mitigate memory consumption of model states with large model training. We also provide a mathematical proof of convergence, accompanied by the establishment of a stringent upper bound. Furthermore, we validate our findings through an extensive set of practical experiments encompassing a wide range of tasks in the fields of computer vision and natural language processing. These experiments serve to demonstrate the capabilities of CO2 in terms of convergence, generalization, and scalability when deployed across configurations comprising up to 128 A100 GPUs. The outcomes emphasize the outstanding capacity of CO2 to hugely improve scalability, no matter on clusters with 800Gbps RDMA or 80Gbps TCP/IP inter-node connections.

In the medical domain, the lack of large training data sets and benchmarks is often a limiting factor for training deep neural networks. In contrast to expensive manual labeling, computer simulations can generate large and fully labeled data sets with a minimum of manual effort. However, models that are trained on simulated data usually do not translate well to real scenarios. To bridge the domain gap between simulated and real laparoscopic images, we exploit recent advances in unpaired image-to-image translation. We extent an image-to-image translation method to generate a diverse multitude of realistically looking synthetic images based on images from a simple laparoscopy simulation. By incorporating means to ensure that the image content is preserved during the translation process, we ensure that the labels given for the simulated images remain valid for their realistically looking translations. This way, we are able to generate a large, fully labeled synthetic data set of laparoscopic images with realistic appearance. We show that this data set can be used to train models for the task of liver segmentation of laparoscopic images. We achieve average dice scores of up to 0.89 in some patients without manually labeling a single laparoscopic image and show that using our synthetic data to pre-train models can greatly improve their performance. The synthetic data set will be made publicly available, fully labeled with segmentation maps, depth maps, normal maps, and positions of tools and camera (http://opencas.dkfz.de/image2image).

Despite recent advances in 3D human mesh reconstruction, domain gap between training and test data is still a major challenge. Several prior works tackle the domain gap problem via test-time adaptation that fine-tunes a network relying on 2D evidence (e.g., 2D human keypoints) from test images. However, the high reliance on 2D evidence during adaptation causes two major issues. First, 2D evidence induces depth ambiguity, preventing the learning of accurate 3D human geometry. Second, 2D evidence is noisy or partially non-existent during test time, and such imperfect 2D evidence leads to erroneous adaptation. To overcome the above issues, we introduce CycleAdapt, which cyclically adapts two networks: a human mesh reconstruction network (HMRNet) and a human motion denoising network (MDNet), given a test video. In our framework, to alleviate high reliance on 2D evidence, we fully supervise HMRNet with generated 3D supervision targets by MDNet. Our cyclic adaptation scheme progressively elaborates the 3D supervision targets, which compensate for imperfect 2D evidence. As a result, our CycleAdapt achieves state-of-the-art performance compared to previous test-time adaptation methods. The codes are available at https://github.com/hygenie1228/CycleAdapt_RELEASE.

Transition state (TS) structures define the critical geometries and energy barriers underlying chemical reactivity, yet their fleeting nature renders them experimentally elusive and drives the reliance on costly, high-throughput density functional theory (DFT) calculations. Here, we introduce TS-GEN, a conditional flow-matching generative model that maps samples from a simple Gaussian prior directly to transition-state saddle-point geometries in a single, deterministic pass. By embedding both reactant and product conformations as conditioning information, TS-GEN learns to transport latent noise to true TS structures via an optimal-transport path, effectively replacing the iterative optimization common in nudged-elastic band or string-method algorithms. TS-GEN delivers unprecedented accuracy, achieving a root-mean-square deviation of 0.004 mathring{A} (vs. 0.103 mathring{A} for prior state-of-the-art) and a mean barrier-height error of 1.019 {rm kcal/mol} (vs. 2.864 {rm kcal/mol}), while requiring only 0.06 {rm s} GPU time per inference. Over 87% of generated TSs meet chemical-accuracy criteria (<1.58 {rm kcal/mol} error), substantially outpacing existing methods. TS-GEN also exhibits strong transferability to out-of-distribution reactions from a larger database. By uniting sub-angstrom precision, sub-second speed, and broad applicability, TS-GEN will be highly useful for high-throughput exploration of complex reaction networks, paving the way to the exploration of novel chemical reaction mechanisms.

While LLM agents can plan multi-step tasks, intervening at the planning stage-before any action is executed-is often the safest way to prevent harm, since certain risks can lead to severe consequences once carried out. However, existing guardrails mostly operate post-execution, which is difficult to scale and leaves little room for controllable supervision at the plan level. To address this challenge, we highlight three critical gaps in current research: data gap, model gap, and evaluation gap. To close the data gap, we introduce AuraGen, a controllable engine that (i) synthesizes benign trajectories, (ii) injects category-labeled risks with calibrated difficulty, and (iii) filters outputs via an automated reward model, producing large and reliable corpora for pre-execution safety. To close the guardian model gap, we propose a foundational guardrail Safiron, combining a cross-planner adapter with a compact guardian model. The adapter unifies different input formats, while Safiron flags risky cases, assigns risk types, and generates rationales; trained in two stages with a broadly explored data recipe, Safiron achieves robust transfer across settings. To close the evaluation gap, we release Pre-Exec Bench, a realistic benchmark covering diverse tools and branching trajectories, which measures detection, fine-grained categorization, explanation, and cross-planner generalization in human-verified scenarios. Extensive experiments demonstrate consistent gains of the proposed guardrail over strong baselines on Pre-Exec Bench, and ablations further distill actionable practices, providing a practical template for safer agentic systems.

With the latest advances in deep learning, there has been a lot of focus on the online learning paradigm due to its relevance in practical settings. Although many methods have been investigated for optimal learning settings in scenarios where the data stream is continuous over time, sparse networks training in such settings have often been overlooked. In this paper, we explore the problem of training a neural network with a target sparsity in a particular case of online learning: the anytime learning at macroscale paradigm (ALMA). We propose a novel way of progressive pruning, referred to as Anytime Progressive Pruning (APP); the proposed approach significantly outperforms the baseline dense and Anytime OSP models across multiple architectures and datasets under short, moderate, and long-sequence training. Our method, for example, shows an improvement in accuracy of approx 7% and a reduction in the generalization gap by approx 22%, while being approx 1/3 rd the size of the dense baseline model in few-shot restricted imagenet training. We further observe interesting nonmonotonic transitions in the generalization gap in the high number of megabatches-based ALMA. The code and experiment dashboards can be accessed at https://github.com/landskape-ai/Progressive-Pruning and https://wandb.ai/landskape/APP, respectively.

Benchmark contamination is diagnosed with n-gram overlap, likelihood-based membership inference, or canary strings, and each needs something usually unavailable: the training corpus, a well-chosen test statistic, or foresight at release. A recent alternative reads it off a linear probe on internal activations. We show the natural way to do this does not work, specify one that survives measurement, then find that the correction making it work carries more variance than the null it is tested against. The protocol reports a zero-sum contrast on the depth profile of probe accuracy, recentred on a level-matched placebo baseline, tested against a label-permutation null, with the reference set twice the size of the suspect set. Each choice replaces a simpler alternative we rejected on measurement. Reporting the level of excess separability rather than its shape makes the false positive rate track the size of the analyst's own control set, 0.03 to 0.99 under a true null. Contrasting against a flat depth profile rejects a true null 0.72 of the time when surface decodability rises with depth, and loses all power when it falls. On real transformers the protocol fails a test the simulations did not pose. The recentring subtracts an estimate, and the permutation null holds it fixed. Re-estimated across split seeds on four audits of contaminated checkpoints, its standard deviation is 1.30 to 1.56 times the null's own in every arm: what is subtracted to remove a bias is more variable than what it corrects. The one nominally significant result, p = 0.0075, becomes 0.0745 once that variance is propagated, and no verdict is issued. The simulations missed this because their surface key is the covariate driving item variation; on real text it is a proxy, and degrading key quality in simulation reproduces it. We add a companion measurement and a widened null. No arm shows contamination.

Spoken interaction is moving from alternating turns to full-duplex conversation, where an agent listens while speaking. Learning this coordination requires natural dialogue with persistent speaker-resolved tracks, a data requirement that remains difficult to satisfy at scale. Generative recovery offers a route from ordinary recordings, but recovering two voices is not enough: their track assignments can drift as the conversation unfolds. We address this missing link with speaker-anchored routing before diffusion: a 1.84M-parameter module matches the separator's coarse streams to fixed enrollment identities and orders them before a frozen generator reconstructs the speech, without retraining the generator or altering the reconstructed audio. On 25-minute remote conversations, routing cuts wrong-track time from 43.9% to 4.1%, below the 6.2% of matched-enrollment waveform re-identification, with its largest advantage when one participant holds the floor (17.8% versus 28.6%), and raises fixed-track activity F1 from 0.46 to 0.84 while per-chunk reconstruction quality is unchanged. The same router transfers to unseen face-to-face and telephone recordings, and a margin-gated verification step brings their wrong-track time to 0.9-1.7% while embedding 20-36% of the output, where full re-identification embeds all of it. Recovered voices thus become the participant-consistent tracks that full-duplex dialogue modeling needs. Audio examples: https://elpsykongloo.github.io/beyond-two-tracks/

Generative models for molecules have shown considerable promise for use in computational chemistry, but remain difficult to use for non-experts. For this reason, we introduce open-source infrastructure for easily building generative molecular models into the widely used DeepChem [Ramsundar et al., 2019] library with the aim of creating a robust and reusable molecular generation pipeline. In particular, we add high quality PyTorch [Paszke et al., 2019] implementations of the Molecular Generative Adversarial Networks (MolGAN) [Cao and Kipf, 2022] and Normalizing Flows [Papamakarios et al., 2021]. Our implementations show strong performance comparable with past work [Kuznetsov and Polykovskiy, 2021, Cao and Kipf, 2022].

We demonstrate that it is possible to perform face-related computer vision in the wild using synthetic data alone. The community has long enjoyed the benefits of synthesizing training data with graphics, but the domain gap between real and synthetic data has remained a problem, especially for human faces. Researchers have tried to bridge this gap with data mixing, domain adaptation, and domain-adversarial training, but we show that it is possible to synthesize data with minimal domain gap, so that models trained on synthetic data generalize to real in-the-wild datasets. We describe how to combine a procedurally-generated parametric 3D face model with a comprehensive library of hand-crafted assets to render training images with unprecedented realism and diversity. We train machine learning systems for face-related tasks such as landmark localization and face parsing, showing that synthetic data can both match real data in accuracy as well as open up new approaches where manual labelling would be impossible.

Real-world LLM applications are moving beyond single-agent workflows toward orchestrated multi-agent systems, yet current models still struggle to determine what each sub-agent needs to know. To measure this, we introduce PerspectiveGap, a benchmark for evaluating LLMs' ability to compose orchestration prompts for multi-agent systems. PerspectiveGap contains 110 scenarios, each evaluated through two distractor-mixed task formats: role-fragment assignment and free-form prompt writing. These scenarios are organized into 10 topologies, which are distilled from the authors' real-world engineering practice and framed by the Prompt Economy principle: building loop-centered orchestrations that maximize utility with minimal role and engineering overhead. In experiments with 27 commercial models from 10 companies, GPT-5.5 substantially outperforms all competitors, whereas Opus 4.7 shows a notable weakness in orchestration prompting despite its strong coding performance. Nevertheless, PerspectiveGap remains challenging: the evaluated models achieve an average combined pass rate of only 14.9\% (GPT-5.5 62.0\%) and an average overall leakage rate of 246.5\% (a per-scenario information leak-event count, not a proportion; GPT-5.5 49.1\%). These findings suggest that multi-agent orchestration prompting is a distinct and under-evaluated capability, and PerspectiveGap provides a foundation for measuring and improving it systematically.

A central aspiration of mechanistic interpretability is controllability: if we know where a behavior is represented in a model's activations, we should be able to modify it. This rests on a hidden premise -- that the direction which detects a behavior and the direction which controls it are the same, or close. We test this geometrically: what is the angle between the direction that best detects a behavior and the one that best causes it? If detection implies control the cosine is near 1; otherwise it quantifies a detection-intervention gap. On Gemma 2-2B-it, output format (clean JSON vs markdown fencing) collapses both roles onto one axis. Hallucination does not: the model detects fake entities with perfect linear separability (AUC = 1.000 from layer 5), yet that direction sits at cos = 0.12 (about 83 degrees) from the direction producing a refusal -- a small, reproducible alignment, far from the cos = 1 that "detection is control" would require. A detector built from activations, with no chosen tokens, likewise fails to align (cos = -0.06). The gap generalizes: across four models from three families and two scales (1B-9B), cos stays in [0.12, 0.20], identical before and after instruction tuning (0.1197 vs 0.1200), placing its origin in pretraining. A 15-degree rotation toward the refusal direction partially bridges it -- 73% and 60% refusal on two held-out fake-entity categories at 1.8% false positives. We then ask whether this cosine predicts steerability, and it does not: detection is a high-dimensional class, not a single direction, and what separates the steerable case is functional, not readable from a static angle. The cosine is a weight-computable signature of the dissociation between knowing and steering, not a predictor of it.

LLM-based multi-agent pipelines flip from correct to incorrect answers under simulated peer disagreement at rates we term yield, a vulnerability widely attributed to RLHF-induced sycophancy. We test this attribution across four model families and find it largely wrong: pretrained base models exhibit the same substitution pattern as their Instruct variants, averaging higher yield than Instruct. Using activation patching, we localize the corruption to a narrow mid-layer window where attention carries the causal weight and MLP contribution is negligible; patching above this window restores 96% of the clean-to-pressured P(correct) gap. The attack surface decomposes into two independent factors (channel framing and consensus strength) whose interaction produces a 47.5 percentage-point yield gap at majority consensus, preserved across jury sizes N in {4, 5, 6}. Two converging activation-space interventions show that pressure suppresses clean-reasoning features rather than activating a new sycophancy circuit. A single correctly-arguing dissenter reduces yield by 54-73 percentage points across all framings tested, whereas the strongest prompt-level defense fails on attack variants outside its design surface. Mitigations should target the mechanism, structured dissent at the pipeline level, rather than prompt-level defenses.

We introduce SynFormer, a generative modeling framework designed to efficiently explore and navigate synthesizable chemical space. Unlike traditional molecular generation approaches, we generate synthetic pathways for molecules to ensure that designs are synthetically tractable. By incorporating a scalable transformer architecture and a diffusion module for building block selection, SynFormer surpasses existing models in synthesizable molecular design. We demonstrate SynFormer's effectiveness in two key applications: (1) local chemical space exploration, where the model generates synthesizable analogs of a reference molecule, and (2) global chemical space exploration, where the model aims to identify optimal molecules according to a black-box property prediction oracle. Additionally, we demonstrate the scalability of our approach via the improvement in performance as more computational resources become available. With our code and trained models openly available, we hope that SynFormer will find use across applications in drug discovery and materials science.

Diffusion models have achieved remarkable success in generative tasks but suffer from high computational costs due to their iterative sampling process and quadratic attention costs. Existing training-free acceleration strategies that reduce per-step computation cost, while effectively reducing sampling time, demonstrate low faithfulness compared to the original baseline. We hypothesize that this fidelity gap arises because (a) different prompts correspond to varying denoising trajectory, and (b) such methods do not consider the underlying ODE formulation and its numerical solution. In this paper, we propose Stability-guided Adaptive Diffusion Acceleration (SADA), a novel paradigm that unifies step-wise and token-wise sparsity decisions via a single stability criterion to accelerate sampling of ODE-based generative models (Diffusion and Flow-matching). For (a), SADA adaptively allocates sparsity based on the sampling trajectory. For (b), SADA introduces principled approximation schemes that leverage the precise gradient information from the numerical ODE solver. Comprehensive evaluations on SD-2, SDXL, and Flux using both EDM and DPM++ solvers reveal consistent ge 1.8times speedups with minimal fidelity degradation (LPIPS leq 0.10 and FID leq 4.5) compared to unmodified baselines, significantly outperforming prior methods. Moreover, SADA adapts seamlessly to other pipelines and modalities: It accelerates ControlNet without any modifications and speeds up MusicLDM by 1.8times with sim 0.01 spectrogram LPIPS.

Tool-use language agents are evaluated on benchmarks that assume clean inputs, unambiguous tool registries, and reliable APIs. Real deployments violate all these assumptions: user typos propagate into hallucinated tool names, a misconfigured request timeout can stall an agent indefinitely, and duplicate tool names across servers can freeze an SDK. We study these failures as a sim-to-real gap in the tool-use partially observable Markov decision process (POMDP), where deployment noise enters through the observation, action space, reward-relevant metadata, or transition dynamics. We introduce RobustBench-TC, a benchmark with 22 perturbation types organized by these four POMDP components, each grounded in a verified GitHub issue or documented tool-calling failure. Across 21 models from 1.5B to 32B parameters (including the closed-source o4-mini), the robustness profile is sharply uneven: observation perturbations reduce accuracy by less than 5%, while reward-relevant and transition perturbations reduce accuracy by roughly 40% and 30%, respectively; scale alone does not close these gaps. We then propose ToolRL-DR, a domain-randomization reinforcement learning (RL) recipe that trains a tool-use agent on perturbation-augmented trajectories spanning the three statically encodable POMDP components. On a 3B backbone, ToolRL-DR-Full retains roughly three-quarters of clean accuracy and reaches an aggregate perturbed accuracy comparable to open-source 14B function-calling baselines while substantially narrowing the gap to o4-mini. It closes approximately 27% of the Transition gap despite never seeing transition perturbations in training, suggesting that RL on adversarial static tool-use inputs induces a more persistent retry policy that transfers to unseen runtime failures. The dataset, code and benchmark leaderboard are publicly available.

Multi-module systems often expose every module to the full input. We test whether restricting evidence visibility changes which solutions gradient-based training discovers. Four-cell societies share one frozen pretrained language model and one low-rank adapter, communicating only through two model-width continuous vectors in a fixed relay. On a prospectively sealed natural-language function-composition task, we train ten matched restricted/global pairs sharing initialization bytes, training order, token layout, parameters, and computation; only the attention mask differs. Restricted societies outperform their globally visible twins by at least 20 points at both depths in 9 of 10 pairs, with median paired advantages of 0.7648 and 0.6050. Cutting communication reduces every restricted society to chance, and the depth-three advantage remains 0.558 on programs whose composite function never appeared in training. Across six audited restricted societies, same-value packet transplants preserve behavior at 0.94-1.00 across all tested interfaces; destructive interventions collapse performance; and counterfactual packets redirect outputs toward the mathematically predicted answer. The sole high-performing global model also requires communication, but its same-value packets are not interchangeable across episodes. Restricted visibility is thus not necessary for composition; under this protocol it substantially increases the probability of a generalizing relay and favors a reusable, value-indexed interface. The complete preregistered battery nevertheless formally fails because restricted-arm median depth-three accuracy is 0.6988, below the 0.70 floor. An earlier qualification cohort likewise yielded 0/10 complete passes: one model met every task-performance gate, but all ten failed ordinary-language preservation, confining the system to explicitly task-gated use.

This paper studies forking, a generalization failure discovered in NanoGPT autoresearch. Under data replay, models with an over-encoding n-gram memory branch show a sharp separation of training and validation loss at epoch boundaries, resembling the shape of forks. We study this phenomenon in a controlled vanilla NanoGPT setting and reproduce it in a DeepSeek-style model with Engram. Mechanistically, repeated updates sharpen the continuations observed in training while suppressing the probability of unseen continuations, whose loss grows with each pass. The n-gram module creates weakly interacting context-specific subspaces, amplifying this effect. Low-frequency contexts contribute most of the gap, whereas larger training budgets and heavily crowded tables suppress it. We also observe forking in short-budget, heavily repeated SFT and RL-like regimes. The contributions of this paper are twofold: (1) Forking reveals yet another curious phenomenon in deep learning, in addition to grokking and double descent. (2) Forking is an unexpected and unpleasant by-product of tricks proposed by autoresearch agents. While these agents produce an enormous number of results that seem useful, we should always be careful with their results.

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as inefficiency, architectural constraints and restricted open-source availability. The representation of crystal structures using the SLICES (Simplified Line-Input Crystal-Encoding System) notation as a string of characters enables the use of state-of-the-art natural language processing models, such as Transformers, for crystal design. Drawing inspiration from the success of GPT models in generating coherent text, we trained a generative Transformer on the next-token prediction task to generate solid-state materials with targeted properties. We demonstrate MatterGPT's capability to generate de novo crystal structures with targeted single properties, including both lattice-insensitive (formation energy) and lattice-sensitive (band gap) properties. Furthermore, we extend MatterGPT to simultaneously target multiple properties, addressing the complex challenge of multi-objective inverse design of crystals. Our approach showcases high validity, uniqueness, and novelty in generated structures, as well as the ability to generate materials with properties beyond the training data distribution. This work represents a significant step forward in computational materials discovery, offering a powerful and open tool for designing materials with tailored properties for various applications in energy, electronics, and beyond.

The global economy is entering the era of Agentic Commerce, where autonomous agents can discover services, negotiate prices, and transact value. However adoption towards agentic commerce faces a foundational trust gap: current systems are built for direct human interactions rather than agent-driven operations. It lacks core primitives across three critical stages of agentic transactions. First, Task Delegation lacks means to translate user intent into defined scopes, discover appropriate agents, and securely authorize actions. Second, Payment Settlement for tasks is processed before execution, lacking verifiable evidence to validate the agent's work. Third, Audit Mechanisms fail to capture the full transaction lifecycle, preventing clear accountability for disputes. While emerging standards address fragments of this trust gap, there still remains a critical need for a unified infrastructure that binds the entire transaction lifecycle. To resolve this gap, we introduce TessPay, a unified infrastructure that replaces implicit trust with a 'Verify-then-Pay' architecture. It is a two plane architecture separating control and verification from settlement. TessPay operationalizes trust across four distinct stages: Before execution, agents are anchored in a canonical registry and user intent is captured as verifiable mandates, enabling stakeholder accountability. During execution, funds are locked in escrow while the agent executes the task and generates cryptographic evidence (TLS Notary, TEE etc.) to support Proof of Task Execution (PoTE). At settlement, the system verifies this evidence and releases funds only when the PoTE satisfies verification predicates; modular rail adapters ensure this PoTE-gated escrow remains chain-agnostic across heterogeneous payment rails. After settlement, TessPay preserves a tamper-evident audit trail to enable clear accountability for dispute resolution.

Diffusion models have demonstrated remarkable success in various domains, including molecular generation. However, conditional molecular generation remains a fundamental challenge due to an intrinsic trade-off between targeting specific chemical properties and generating meaningful samples from the data distribution. In this work, we present Time-Aware Conditional Synthesis (TACS), a novel approach to conditional generation on diffusion models. It integrates adaptively controlled plug-and-play "online" guidance into a diffusion model, driving samples toward the desired properties while maintaining validity and stability. A key component of our algorithm is our new type of diffusion sampler, Time Correction Sampler (TCS), which is used to control guidance and ensure that the generated molecules remain on the correct manifold at each reverse step of the diffusion process at the same time. Our proposed method demonstrates significant performance in conditional 3D molecular generation and offers a promising approach towards inverse molecular design, potentially facilitating advancements in drug discovery, materials science, and other related fields.

Foundation models are moving from response generation into operational roles. They plan across steps, call tools, request human input, coordinate with other agents, and increasingly carry responsibility for work that affects customers, claims, code, contracts, and clinical decisions. Production deployments are no longer one human supervising one model. They are multi-human, multi-agent collaborations that cross teams, time zones, and trust boundaries. The technical surface for this collaboration remains weakly specified. When an agent drafts a response and a human edits it before it ships, the moment of human judgement is the most valuable signal in the system. In current practice it is recorded, if at all, in application code, chat threads, ticket comments, and tribal memory. Two protocol standards address adjacent concerns: MCP standardises agent access to tools and data, and A2A standardises agent-to-agent interoperability. Neither defines the shared workspace in which humans and agents perform accountable work together. This paper presents CHAP, the Collaborative Human-Agent Protocol. Under CHAP, the override that used to vanish into a chat thread becomes a structured event carrying a diff, a rationale, and a content hash. The handoff between shifts becomes a portable envelope rather than a pinned message. The human approval of an agent's draft becomes a non-repudiable signed decision that can be replayed years later. The protocol achieves this through a small Core (workspaces, participants, tasks, artefacts, and an append-only evidence log) together with composable profiles that add review, modes, routing, deliberation, handoff, identity, signatures, and transparency-backed audit as deployments require them. Specification, reference implementation, conformance suite, and worked examples are available at: https://github.com/BrightbeamAI/chap

Large language models (LLMs) are increasingly used to automate data-processing workflows, yet coding agents typically produce scripts that are not automatically materialized as persistent, editable platform artifacts. We call this disconnect the NL2Pipeline gap. To bridge it, we introduce DataFlow-Harness, a platform that guides an LLM agent to construct platform-native directed acyclic graphs (DAGs) through typed, incremental mutations rather than free-form scripts. The platform combines DataFlow-Skills for procedural guidance, a Model Context Protocol (MCP) layer that exposes the live operator registry and current pipeline state, and DataFlow-WebUI, which synchronizes conversational authoring with a visual DAG editor. On a 12-task data-engineering benchmark, DataFlow-Harness achieves a 93.3\% observed end-to-end pass rate. Relative to Vanilla Claude Code, it reduces measured monetary cost by 72.5\% and generation latency by 49.9\%; its observed pass rate is within 0.9 percentage points of the Context-Aware Claude Code baseline while its cost is 42.8\% lower. Per-task analysis indicates that Skills are most useful when construction depends on implicit procedural knowledge. These results show that live platform grounding can produce persistent, editable workflow artifacts with an observed reliability close to script-generation baselines and with lower measured construction cost and latency.

Large language models (LLMs) are increasingly being used in network operations (NetOps) and artificial intelligence for IT operations (AIOps) for tasks ranging from telemetry retrieval and incident diagnosis to configuration planning and bounded remediation. As these systems acquire greater access to operational tools, a central question is whether operational assurance develops commensurately with the authority granted to them. This survey examines that question through a structured, evidence-stratified review of agentic NetOps and AIOps, spanning directly evaluated LLM systems, operational mechanisms, transferred evidence, and normative guidance. We organise the field around autonomy, tool scope, evidence traces, assurance controls, evaluation, security, and governance, and introduce an operational assurance contract that links each autonomy level to permitted tools, required evidence, independent gates, execution budgets, rollout and rollback duties, and audit requirements. The synthesis indicates a capability-assurance gap: evidence is comparatively strong for read-oriented assistance and tool-grounded diagnosis, but becomes substantially less complete as systems approach configuration change, bounded execution, and closed-loop operation. We therefore develop a workflow-level evaluation framework covering evidence quality, tool use, policy and invariant compliance, staged execution, recovery, calibration, cost, and human intervention, together with a threat model for prompt-borne attacks, compromised operational evidence, excessive agency, privilege boundaries, and auditability. The resulting view treats agentic NetOps and AIOps as constrained operational control, in which increasing autonomy requires correspondingly stronger evidence, independently enforced safeguards, and recovery mechanisms.

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest version of ASKCOS, an open source software suite for synthesis planning that makes available several research advances in a freely available, practical tool. Four one-step retrosynthesis models form the basis of both interactive planning and automatic planning modes. Retrosynthetic planning is complemented by other modules for feasibility assessment and pathway evaluation, including reaction condition recommendation, reaction outcome prediction, and auxiliary capabilities such as solubility prediction and quantum mechanical descriptor prediction. ASKCOS has assisted hundreds of medicinal, synthetic, and process chemists in their day-to-day tasks, complementing expert decision making. It is our belief that CASP tools like ASKCOS are an important part of modern chemistry research, and that they offer ever-increasing utility and accessibility.

Audio inpainting refers to the task of reconstructing missing segments in corrupted audio recordings. While prior approaches-including waveform and spectrogram-based diffusion models-have shown promising results for short gaps, they often degrade in quality when gaps exceed 100 milliseconds (ms). In this work, we introduce a novel inpainting method based on discrete diffusion modeling, which operates over tokenized audio representations produced by a pre-trained audio tokenizer. Our approach models the generative process directly in the discrete latent space, enabling stable and semantically coherent reconstruction of missing audio. We evaluate the method on the MusicNet dataset using both objective and perceptual metrics across gap durations up to 300 ms. We further evaluated our approach on the MTG dataset, extending the gap duration to 500 ms. Experimental results demonstrate that our method achieves competitive or superior performance compared to existing baselines, particularly for longer gaps, offering a robust solution for restoring degraded musical recordings. Audio examples of our proposed method can be found at https://iftach21.github.io/

Generating 3D images of complex objects conditionally from a few 2D views is a difficult synthesis problem, compounded by issues such as domain gap and geometric misalignment. For instance, a unified framework such as Generative Adversarial Networks cannot achieve this unless they explicitly define both a domain-invariant and geometric-invariant joint latent distribution, whereas Neural Radiance Fields are generally unable to handle both issues as they optimize at the pixel level. By contrast, we propose a simple and novel 2D to 3D synthesis approach based on conditional diffusion with vector-quantized codes. Operating in an information-rich code space enables high-resolution 3D synthesis via full-coverage attention across the views. Specifically, we generate the 3D codes (e.g. for CT images) conditional on previously generated 3D codes and the entire codebook of two 2D views (e.g. 2D X-rays). Qualitative and quantitative results demonstrate state-of-the-art performance over specialized methods across varied evaluation criteria, including fidelity metrics such as density, coverage, and distortion metrics for two complex volumetric imagery datasets from in real-world scenarios.

Executable programs offer explicit control over how images and videos are constructed, but generating runnable code is only the beginning of visual creation. A program can execute correctly while violating the requested composition, appearance, or motion. We define this discrepancy as the Program-to-Visual (P2V) gap and introduce MaLiang-Harness, a unified framework for organizing MLLM-driven visual generation into a persistent process of construction, inspection, and revision. Its central design is to make the evolving visual program, its construction history, and its verification share a common revision reference. We define the Persistent Executable Generation (PEG) state as preserving programs and task context. Traceable Generation Process (TGP) connects edits to rendered evidence, and Revision-aware Editing and Verification (REV) supports restoration and checks the current revision before completion. Together, these mechanisms coordinate planning, execution, and visual feedback across rendering backends. We evaluate 11 powerful closed-source MLLMs on MaLiang-IBench and four on MaLiang-VBench, measuring generation success, visual quality, and computational cost. GPT-6-Astra achieves 100% generation success on both benchmarks, with 96.0% of image tasks and 76.9% of video tasks meeting all quality thresholds. The comparison also reveals a mismatch between general capability scores and visual generation performance, with similarly scored models differing substantially in their ability to satisfy visual requirements. MaLiang-Harness provides a systematic basis for studying how MLLMs translate executable code into visual outcomes, exposing both the potential of programmable generation and the limitations of general benchmarks as predictors of this ability. The project is available at https://github.com/gulucaptain/MaLiang-Harness.

Interest in generating realistic synthetic medical images has grown in recent years. Such datasets can mitigate the scarcity of public data for artificial intelligence research and support education. Work on synthesizing dental panoramic radiographs (PRs) has so far relied almost exclusively on generative adversarial networks (GANs), and three limitations recur: the synthesized field of view is often restricted to a cropped dentoalveolar region rather than a complete PR; observer studies of GAN-generated PRs report that clinicians still identify synthetic images with accuracies of roughly 78-82%, implying persistent visible giveaways; and adversarial training remains sensitive to instability and mode collapse. Generating a full-size PR directly at diagnostic resolution with a diffusion model is an alternative, but sampling at that resolution is costly. We therefore present PanoDiff-SR, an end-to-end two-stage pipeline developed and evaluated specifically for panoramic radiography: a denoising diffusion implicit model (PanoDiff) generates a low-resolution (LR) seed PR (256times128), which a fine-tuned hybrid attention transformer (HAT) super-resolution (SR) stage upscales to a high-resolution (HR) PR of 1024times512. Decoupling the expensive generative step from the resolution step yields complete, full-arch PRs at diagnostic resolution on a single 47 GB GPU. The Fréchet inception distance between 7243 real and synthetic HR images is 40.5. Inception scores were 2.68, 2.38, 2.90 and 2.98 for real HR, synthetic HR, real LR and synthetic LR images, respectively. Six clinical experts, each evaluating 100 synthetic and 100 real PRs under a time limit, distinguished real from synthetic images with an average accuracy of 68.5% (50% corresponds to random guessing), substantially closer to chance than reported for GAN-based studies. Project page: https://s4nyam.github.io/panodiff/

Dataset distillation or condensation aims to generate a smaller but representative subset from a large dataset, which allows a model to be trained more efficiently, meanwhile evaluating on the original testing data distribution to achieve decent performance. Previous decoupled methods like SRe^2L simply use a unified gradient update scheme for synthesizing data from Gaussian noise, while, we notice that the initial several update iterations will determine the final outline of synthesis, thus an improper gradient update strategy may dramatically affect the final generation quality. To address this, we introduce a simple yet effective global-to-local gradient refinement approach enabled by curriculum data augmentation (CDA) during data synthesis. The proposed framework achieves the current published highest accuracy on both large-scale ImageNet-1K and 21K with 63.2% under IPC (Images Per Class) 50 and 36.1% under IPC 20, using a regular input resolution of 224times224 with faster convergence speed and less synthetic time. The proposed model outperforms the current state-of-the-art methods like SRe^2L, TESLA, and MTT by more than 4% Top-1 accuracy on ImageNet-1K/21K and for the first time, reduces the gap to its full-data training counterparts to less than absolute 15%. Moreover, this work represents the inaugural success in dataset distillation on the larger-scale ImageNet-21K dataset under the standard 224times224 resolution. Our code and distilled ImageNet-21K dataset of 20 IPC, 2K recovery budget are available at https://github.com/VILA-Lab/SRe2L/tree/main/CDA.

LLM-as-judge ("grader") components are now standard in evaluation harnesses, including safety evaluations where a pass/fail verdict may gate downstream deployment decisions. A widespread assumption is that setting the grader's sampling temperature to 0 makes grading deterministic. We test this assumption against a real safety-evaluation codebase (Japan AISI's open-source aisev) and show it fails on two levels. First, the harness invokes its grader without setting temperature or seed; the underlying provider silently applies its default of 1.0, so items near the decision boundary flip pass/fail across identical runs (per-item disagreement up to ~50% over 20 runs). Second, pinning temperature=0 reduces but does not eliminate flips: across 690 API calls spanning two providers, three model tiers, and five sampling configurations, 1-2 of 7 borderline items remain non-reproducible even under forced greedy decoding (top_k=1). Claude Opus 4.7/4.8 has since deprecated temperature entirely, rendering the primary mitigation inapplicable to newer model generations. These findings expose a structural gap: evaluation harnesses that report single-run verdicts without variance or grader-disagreement metrics can present noise as a safety property. We release a reproduction harness (690 calls, 7 conditions) and recommend that harnesses treat grader disagreement as a first-class health metric alongside the scores themselves.

Retrosynthetic planning aims to devise a complete multi-step synthetic route from starting materials to a target molecule. Current strategies use a decoupled approach of single-step retrosynthesis models and search algorithms, taking only the product as the input to predict the reactants for each planning step and ignoring valuable context information along the synthetic route. In this work, we propose a novel framework that utilizes context information for improved retrosynthetic planning. We view synthetic routes as reaction graphs and propose to incorporate context through three principled steps: encode molecules into embeddings, aggregate information over routes, and readout to predict reactants. Our approach is the first attempt to utilize in-context learning for retrosynthesis prediction in retrosynthetic planning. The entire framework can be efficiently optimized in an end-to-end fashion and produce more practical and accurate predictions. Comprehensive experiments demonstrate that by fusing in the context information over routes, our model significantly improves the performance of retrosynthetic planning over baselines that are not context-aware, especially for long synthetic routes. Code is available at https://github.com/SongtaoLiu0823/FusionRetro.

Recent advances in generative modeling have enabled significant progress in structure-based drug design (SBDD). Existing methods typically condition molecule generation on empty binding pockets from holo complexes, overlooking informative components such as the filler (ligands and solvent). Here, we leverage low-resolution electron density (ED) derived from the filler as a physically grounded condition for de novo drug design. We consider two types of ED, calculated and cryo-EM/X-ray, obtainable from computational or experimental sources, supporting unified pre-training and experimental integration. Compared with rigid pocket representations, experimental ED naturally captures conformational flexibility and provides a more faithful description of the binding environment. Based on this, we introduce EDMolGPT, a decoder-only autoregressive framework that generates molecules from low-resolution ED point clouds. By grounding generation in physically meaningful density signals, EDMolGPT mitigates structural bias and produces molecules with 3D conformations. Evaluations on 101 biological targets verify the effectiveness. Our project page: https://jiahaochen1.github.io/EDMolGPT_Page/.

As multi-agent AI systems grow in complexity, the protocols connecting them constrain their capabilities. Current protocols such as A2A and MCP do not expose model-level properties as first-class primitives, ignoring properties fundamental to effective delegation: model identity, reasoning profile, quality calibration, and cost characteristics. We present the LLM Delegate Protocol (LDP), an AI-native communication protocol introducing five mechanisms: (1) rich delegate identity cards with quality hints and reasoning profiles; (2) progressive payload modes with negotiation and fallback; (3) governed sessions with persistent context; (4) structured provenance tracking confidence and verification status; (5) trust domains enforcing security boundaries at the protocol level. We implement LDP as a plugin for the JamJet agent runtime and evaluate against A2A and random baselines using local Ollama models and LLM-as-judge evaluation. Identity-aware routing achieves ~12x lower latency on easy tasks through delegate specialization, though it does not improve aggregate quality in our small delegate pool; semantic frame payloads reduce token count by 37% (p=0.031) with no observed quality loss; governed sessions eliminate 39% token overhead at 10 rounds; and noisy provenance degrades synthesis quality below the no-provenance baseline, arguing that confidence metadata is harmful without verification. Simulated analyses show architectural advantages in attack detection (96% vs. 6%) and failure recovery (100% vs. 35% completion). This paper contributes a protocol design, reference implementation, and initial evidence that AI-native protocol primitives enable more efficient and governable delegation.

Recent machine learning papers often report 1-2 percentage point improvements from a single run on a benchmark. These gains are highly sensitive to random seeds, data ordering, and implementation details, yet are rarely accompanied by uncertainty estimates or significance tests. It is therefore unclear when a reported +1-2% reflects a real algorithmic advance versus noise. We revisit this problem under realistic compute budgets, where only a few runs are affordable. We propose a simple, PC-friendly evaluation protocol based on paired multi-seed runs, bias-corrected and accelerated (BCa) bootstrap confidence intervals, and a sign-flip permutation test on per-seed deltas. The protocol is intentionally conservative and is meant as a guardrail against over-claiming. We instantiate it on CIFAR-10, CIFAR-10N, and AG News using synthetic no-improvement, small-gain, and medium-gain scenarios. Single runs and unpaired t-tests often suggest significant gains for 0.6-2.0 point improvements, especially on text. With only three seeds, our paired protocol never declares significance in these settings. We argue that such conservative evaluation is a safer default for small gains under tight budgets.

Protein interaction modeling is central to protein design, which has been transformed by machine learning with applications in drug discovery and beyond. In this landscape, structure-based de novo binder design is cast as either conditional generative modeling or sequence optimization via structure predictors ("hallucination"). We argue that this is a false dichotomy and propose Proteina-Complexa, a novel fully atomistic binder generation method unifying both paradigms. We extend recent flow-based latent protein generation architectures and leverage the domain-domain interactions of monomeric computationally predicted protein structures to construct Teddymer, a new large-scale dataset of synthetic binder-target pairs for pretraining. Combined with high-quality experimental multimers, this enables training a strong base model. We then perform inference-time optimization with this generative prior, unifying the strengths of previously distinct generative and hallucination methods. Proteina-Complexa sets a new state of the art in computational binder design benchmarks: it delivers markedly higher in-silico success rates than existing generative approaches, and our novel test-time optimization strategies greatly outperform previous hallucination methods under normalized compute budgets. We also demonstrate interface hydrogen bond optimization, fold class-guided binder generation, and extensions to small molecule targets and enzyme design tasks, again surpassing prior methods. Code, models and new data will be publicly released.

Generating novel active molecules for a given protein is an extremely challenging task for generative models that requires an understanding of the complex physical interactions between the molecule and its environment. In this paper, we present a novel generative model, BindGPT which uses a conceptually simple but powerful approach to create 3D molecules within the protein's binding site. Our model produces molecular graphs and conformations jointly, eliminating the need for an extra graph reconstruction step. We pretrain BindGPT on a large-scale dataset and fine-tune it with reinforcement learning using scores from external simulation software. We demonstrate how a single pretrained language model can serve at the same time as a 3D molecular generative model, conformer generator conditioned on the molecular graph, and a pocket-conditioned 3D molecule generator. Notably, the model does not make any representational equivariance assumptions about the domain of generation. We show how such simple conceptual approach combined with pretraining and scaling can perform on par or better than the current best specialized diffusion models, language models, and graph neural networks while being two orders of magnitude cheaper to sample.

A fundamental dilemma in generative modeling persists: iterative diffusion models achieve outstanding fidelity, but at a significant computational cost, while efficient few-step alternatives are constrained by a hard quality ceiling. This conflict between generation steps and output quality arises from restrictive training objectives that focus exclusively on either infinitesimal dynamics (PF-ODEs) or direct endpoint prediction. We address this challenge by introducing an exact, continuous-time dynamics equation that analytically defines state transitions across any finite time interval. This leads to a novel generative paradigm, Transition Models (TiM), which adapt to arbitrary-step transitions, seamlessly traversing the generative trajectory from single leaps to fine-grained refinement with more steps. Despite having only 865M parameters, TiM achieves state-of-the-art performance, surpassing leading models such as SD3.5 (8B parameters) and FLUX.1 (12B parameters) across all evaluated step counts. Importantly, unlike previous few-step generators, TiM demonstrates monotonic quality improvement as the sampling budget increases. Additionally, when employing our native-resolution strategy, TiM delivers exceptional fidelity at resolutions up to 4096x4096.

This paper does not describe a new method; instead, it provides a thorough exploration of an important yet understudied design space related to recent advances in text-to-image synthesis -- specifically, the deep fusion of large language models (LLMs) and diffusion transformers (DiTs) for multi-modal generation. Previous studies mainly focused on overall system performance rather than detailed comparisons with alternative methods, and key design details and training recipes were often left undisclosed. These gaps create uncertainty about the real potential of this approach. To fill these gaps, we conduct an empirical study on text-to-image generation, performing controlled comparisons with established baselines, analyzing important design choices, and providing a clear, reproducible recipe for training at scale. We hope this work offers meaningful data points and practical guidelines for future research in multi-modal generation.

Dynamic-scene reconstruction is almost always evaluated inside the observed time window, yet deployment settings such as AR overlays, robot interaction, and anticipatory planning need the future surface: the geometry at times beyond those captured. No standard benchmark measures this. We introduce FutureSurf, a controlled diagnostic benchmark and dataset for future-time surface reconstruction that trades scene diversity for exact future ground truth and falsification controls. A method trains on the observed first 75% of a sequence; we score its extracted per-frame surface on the held-out future by Chamfer distance, reporting absolute future CD as the primary score and the future/observed gap as a diagnostic. The dataset contains eight analytically defined controlled motions, including three falsification controls, with exact per-frame ground-truth meshes. We also provide a ground-truth-side recoverability oracle. The release includes split files, scoring code, a benchmark card, and Croissant metadata. On the controlled motions, the DG-Mesh backbone leaves a 2.7-4.1times gap even for futures predictable in principle (four of five recoverable from observed motion by a fixed rule), while the falsification controls behave as designed (the surface-invariant motion shows no gap). Beyond the contributed dataset, the gap persists across six animated DG-Mesh asset scenes and a second backbone, Deformable-3DGS (2.0-6.6times; both share a deformation-MLP temporal model). The benchmark also shows that future rendering quality and future-surface accuracy are statistically decoupled, so the novel-view-synthesis metrics the field reports do not track future geometry. The future error is structured, concentrating where the surface moves. The dataset, evaluation toolkit, and scoring code are available on Hugging Face and GitHub (https://github.com/Ricky-S/futuresurf).

A Mamba state-space model trained only for next-step prediction appears to recover Granger-causal structure through a simple readout S = |W_{out} W_{in}|, with early experiments suggesting the phenomenon generalized across architectures and benefited from interventional data at p < 10^{-5}. We package the protocol used to test that claim -- standardized synthetic generators (VAR/Lorenz/CauseMe-style), three intervention semantics (do(X=c), soft-noise, random-forcing), edge-provenance cards on three real datasets, and size-matched control arms -- as a reusable falsification benchmark, and walk the claim through it in five stages. The method-level claim does not survive: (i) a plain linear bottleneck does as well or better; (ii) tuned Lasso beats the bottleneck on synthetic CauseMe-style benchmarks, and on Lorenz-96 (the only real benchmark with unambiguous ground truth) classical PCMCI and Granger lead a tight cluster in which the bottleneck trails; (iii) the headline intervention advantage is roughly 60% a sample-size confound, and the residual disappears under standard do(X=c) interventions, surviving only under a non-standard random-forcing scheme; (iv) even that residual reproduces, with a larger effect, in classical bivariate Granger -- the effect is method-agnostic. What survives is a narrow characterization result; the benchmark is the lasting artifact, and each stage above is one of its control arms.

Biological protocols are fundamental to reproducible and safe life science research. While LLMs excel on general tasks, their systematic evaluation on these highly specialized, accuracy-critical, and inherently procedural texts remains limited. In this work, we present BioProBench, the first large-scale, integrated multi-task benchmark for biological protocol understanding and reasoning. While limited benchmarks have touched upon specific aspects like protocol QA, BioProBench provides a comprehensive suite of five core tasks: Protocol Question Answering, Step Ordering, Error Correction, Protocol Generation, and Protocol Reasoning, enabling a holistic evaluation of LLMs on procedural biological texts. Built upon 27K original protocols, it yields nearly 556K high-quality structured instances. We evaluate 12 mainstream open/closed-source LLMs on BioProBench. Experimental results reveal that while top models preform well on surface understanding tasks, struggle significantly with deep reasoning and structured generation tasks like ordering and generation. Furthermore, model comparisons reveal diverse performance: certain open-source models approach closed-source levels on some tasks, yet bio-specific small models lag behind general LLMs, indicating limitations on complex procedural content. Overall, our findings underscore that procedural reasoning within biological protocols represents a significant challenge for current LLMs. BioProBench serves as a standardized framework to diagnose these specific limitations and guide the development of AI systems better equipped for safely automating complex scientific procedures. The code and data are available at: https://github.com/YuyangSunshine/bioprotocolbench and https://huggingface.co/datasets/GreatCaptainNemo/BioProBench.

Prompt optimization can improve multi-agent LLM systems, but the prompts being optimized often serve two entangled roles: generating task-relevant content and specifying execution-critical protocols, such as message routing, output formatting, and termination signals, on which the underlying code relies. As a result, a prompt edit intended to improve content generation can inadvertently corrupt the protocol and cause the entire agent pipeline to fail. Our key observation is that these two roles have different representations: execution protocols are typically structured, while task-relevant content is usually expressed in unstructured language. Based on this, we propose control-data flow separation, where execution-critical control is represented as typed, validated program objects, while task-relevant language remains the optimizable data flow for agent communication. This design allows optimizers to improve multi-agent behavior without exposing the routing or formatting interface to prompt drift. Across synthetic reasoning, collaborative review generation, and insurance rating workflows, our framework empirically achieves 100% eventual protocol validity while consistently improving task performance.

Extractive prompt compression promises to cut LLM inference costs by removing low-information tokens, and learned compressors such as LLMLingua-2 report strong results on English benchmarks. Most other languages already pay a token premium: the same content costs 1.3-1.8x more tokens than in English. We ask whether compression closes or widens this gap. Using fully parallel data in ten languages spanning five scripts, with controls budget-matched in the target model's tokenizer, we audit four learned compressors against four deterministic baselines, on eleven target models from ten vendors (over 250,000 evaluation calls). Three of the compressors are trained with English supervision (LLMLingua-2 XLM-R/mBERT; Kompress-v2 from the production Headroom stack); the fourth, XProvence, is trained multilingually. First, the transfer gap is real, replicates across target models and compressor backbones, and is strongly rate-dependent: at a 0.33 keep-rate English retains 57-62% of normalized context utilization while Lithuanian retains 10-24% and Chinese essentially none, despite Chinese having the smallest token premium. Second, the gap tracks compression supervision data, not architecture. All three English-trained compressors show it, deterministic methods show no comparable gap, and the multilingually trained XProvence v1 shows none. Its v2 release, retrained on translated data, empties 92% of Chinese contexts at its aggressive threshold without any warning. Third, in a harder long-context setting, aggressive learned compression drives compressed contexts to or below no-context utility in three of five non-English languages. A translate-then-compress pipeline matches or beats native compression at roughly half the token cost in three of five tested languages. We release all code, compressions, and model outputs. Safe compression budgets are much smaller outside English.

As long-horizon coding agents produce more code than any developer can review, oversight collapses onto a single surface: the automated test suite. Reward hacking naturally arises in this setup, as the agent optimizes for passing tests while deviating from the users true goal. We study this reward hacking phenomenon by decompose software engineering tasks into three parts: (i) a natural language description of the specification (ii) visible validation tests that exercise specified features in isolation, and (iii) held-out tests that compose those same features to simulate real-world usage. Based on the specification and the visible validation test suites, a genuine agent would be able to generate a solution that can also pass all of the held-out tests. Therefore we use the gap in pass rates on these two suites to quantify reward hacking. Based on this methodology, we introduce SpecBench, a benchmark comprising 30 systems-level programming tasks ranging from short horizon tasks like building a JSON parser to ultra long horizon tasks like building an entire OS kernel from scratch. Large-scale experiments reveal a consistent pattern: while every frontier agent saturates the visible suite, reward hacking persists, with smaller models exhibiting larger gaps on holdout suites. The gap also scales sharply with task length: it grows by 28 percentage points for every tenfold increase in code size. Failures range from subtle feature isolation to deliberate exploits, including a 2,900-line hash-table "compiler" that memorizes test inputs. SpecBench offers a principled testbed for measuring whether coding agents build genuine working systems or merely game the test suites developers hand them.

The rapid advancement of generators (e.g., StyleGAN, Midjourney, DALL-E) has produced highly realistic synthetic images, posing significant challenges to digital media authenticity. These generators are typically based on a few core architectural families, primarily Generative Adversarial Networks (GANs) and Diffusion Models (DMs). A critical vulnerability in current forensics is the failure of detectors to achieve cross-generator generalization, especially when crossing architectural boundaries (e.g., from GANs to DMs). We hypothesize that this gap stems from fundamental differences in the artifacts produced by these distinct architectures. In this work, we provide a theoretical analysis explaining how the distinct optimization objectives of the GAN and DM architectures lead to different manifold coverage behaviors. We demonstrate that GANs permit partial coverage, often leading to boundary artifacts, while DMs enforce complete coverage, resulting in over-smoothing patterns. Motivated by this analysis, we propose the Triarchy Detector (TriDetect), a semi-supervised approach that enhances binary classification by discovering latent architectural patterns within the "fake" class. TriDetect employs balanced cluster assignment via the Sinkhorn-Knopp algorithm and a cross-view consistency mechanism, encouraging the model to learn fundamental architectural distincts. We evaluate our approach on two standard benchmarks and three in-the-wild datasets against 13 baselines to demonstrate its generalization capability to unseen generators.

Inverse materials design is a long-standing goal of computational materials discovery. Generative models for crystalline materials are typically trained to match the distribution of a structure database, while nothing in their training objective points them at specific design goals such as targeted properties. We use group-relative policy optimization (GRPO) to align a generative model based on stochastic interpolants and discrete flow matching with general black-box reward functions through reinforcement learning. Atom types are generated by a discrete flow and the policy gradient of our generalization of GRPO directly acts on the likelihoods of the atom-type transitions, which differentiates our work from previous reinforcement-learning approaches for diffusion and flow-based generative models of crystalline materials. We introduce a reward function that raises the yield of metastable, unique and novel structures (mSUN) from 13.4% for the pretrained model to 45.5% for the reinforced model, as evaluated by a community benchmark. Our reward also improves the performance of a reinforcement learning framework for crystalline materials based on latent denoising diffusion models. At the same time, we find that directly reinforcing atom-type transition likelihoods enables reward exploitation that has to be prevented with explicit guards. The same analysis also exposes a gap in the community metric. Single-element structures in distinct packings are counted as metastable, unique and novel materials and inflate mSUN without yielding any new compounds. A stability claim is only as good as its reference hull. We report every result split by the number of reference phases behind it and argue that benchmarks should do the same.

Small-model agentic post-training is bottlenecked less by the algorithm than by the trajectory substrate it consumes. Leading recipes (RLVR, group-relative RL, rejection-sampled re-SFT) all need multi-turn traces carrying per-trajectory supervision, and the two existing sources fall short: frontier-synthesised data inherits the synthesizer's biases and collapses the long tail, while unfiltered production logs are unjudged and contaminated by shortcut behaviour. We argue that an incentive-aligned agent arena can be engineered to manufacture such trajectories, and demonstrate this on ORO Subnet 15 (SN15), a Bittensor deployment of the ShoppingBench agentic-commerce benchmark. SN15's race mechanism, LLM reasoning judge, and rotating leak-cluster-guarded problem suite yield a corpus with three properties: incentive-aligned diversity, per-trajectory judging, and anti-memorised held-out evaluation. We introduce a structural-quality filter that converts the raw firehose into a trainable corpus by keeping agentic trajectories (the model itself emits the tool calls) and rejecting sub-task trajectories (the model only classifies or narrates over a deterministic search loop), then post-train Qwen3-4B with a recipe matched to the published ShoppingBench SFT-then-GRPO pipeline. On a leak-cluster-guarded held-out partition scored production-strict, the model lifts from the published Qwen3-4B base of 18.0% ASR to 42.7%, within single-problem noise of the synthetic-data SFT-only baseline (43.6%), while training on a fraction of a single day of subnet output. The supervised stack leaves a large pass@8 to pass@1 gap (53.3% vs 34.8%); a per-step teacher-grounded Dr. GRPO reward converts that headroom into process improvement, and we identify the sub-task firehose as the primary lever for closing the gap to the 48.7% SFT+GRPO bar. We release the filter, the corpus splits, and the arena mechanics.

LeWorldModel trains a latent world model with a prediction loss and a single anti-collapse regulariser, and reports approximately 87% of goals reached on TwoRoom, its simplest diagnostic environment. We reproduce that result by independent reimplementation on roughly $25 of rented compute, with all evaluation on one laptop CPU. We reach 94.0% at the repository's evaluation goal offset, against 84.0% for the authors' own released checkpoint measured under our protocol on identical episodes, and we reproduce the reported representation result directly (position probe Pearson r = 0.9988 against a reported 0.996). Reaching that point required four conventions that determine the outcome and appear in no released configuration file: dense action gathering across a frameskip block, a programmatically-set action-encoder width, ImageNet pixel normalisation, and action z-scoring. A reproducer following the released configurations alone obtains a model whose predictor cannot converge. The evaluation protocol is itself contested by the released material. The paper's appendix and the repository's configuration specify different goal offsets and step budgets; on the authors' own weights these yield 14.0% and 84.0%, and only the configuration's values reproduce the reported figure. On fifty identical episodes, changing nothing but how the goal is constructed moves that checkpoint from 84.0% to 8.0%. Two findings generalise. One-step prediction accuracy does not predict long-horizon planning success: across three checkpoints spanning a sevenfold range in prediction error, including the authors' own, it orders short-horizon success monotonically and fails to order long-horizon success at all. And a batch normalisation layer inflated our reported validation loss by up to a factor of 300, concealing a training loss that was flat throughout.

Based on the BioBricks standard, restriction synthesis is a novel catabolic iterative DNA synthesis method that utilizes endonucleases to synthesize a query sequence from a reference sequence. In this work, the reference sequence is built from shorter subsequences by classifying them as applicable or inapplicable for the synthesis method using three different machine learning methods: Support Vector Machines (SVMs), random forest, and Convolution Neural Networks (CNNs). Before applying these methods to the data, a series of feature selection, curation, and reduction steps are applied to create an accurate and representative feature space. Following these preprocessing steps, three different pipelines are proposed to classify subsequences based on their nucleotide sequence and other relevant features corresponding to the restriction sites of over 200 endonucleases. The sensitivity using SVMs, random forest, and CNNs are 94.9%, 92.7%, 91.4%, respectively. Moreover, each method scores lower in specificity with SVMs, random forest, and CNNs resulting in 77.4%, 85.7%, and 82.4%, respectively. In addition to analyzing these results, the misclassifications in SVMs and CNNs are investigated. Across these two models, different features with a derived nucleotide specificity visually contribute more to classification compared to other features. This observation is an important factor when considering new nucleotide sensitivity features for future studies.

Recently, there has been a surge of interest in employing neural networks for graph generation, a fundamental statistical learning problem with critical applications like molecule design and community analysis. However, most approaches encounter significant limitations when generating large-scale graphs. This is due to their requirement to output the full adjacency matrices whose size grows quadratically with the number of nodes. In response to this challenge, we introduce a new, simple, and scalable graph representation named gap encoded edge list (GEEL) that has a small representation size that aligns with the number of edges. In addition, GEEL significantly reduces the vocabulary size by incorporating the gap encoding and bandwidth restriction schemes. GEEL can be autoregressively generated with the incorporation of node positional encoding, and we further extend GEEL to deal with attributed graphs by designing a new grammar. Our findings reveal that the adoption of this compact representation not only enhances scalability but also bolsters performance by simplifying the graph generation process. We conduct a comprehensive evaluation across ten non-attributed and two molecular graph generation tasks, demonstrating the effectiveness of GEEL.

Recent advancements in diffusion-based video generation have showcased remarkable results, yet the gap between synthetic and real-world videos remains under-explored. In this study, we examine this gap from three fundamental perspectives: appearance, motion, and geometry, comparing real-world videos with those generated by a state-of-the-art AI model, Stable Video Diffusion. To achieve this, we train three classifiers using 3D convolutional networks, each targeting distinct aspects: vision foundation model features for appearance, optical flow for motion, and monocular depth for geometry. Each classifier exhibits strong performance in fake video detection, both qualitatively and quantitatively. This indicates that AI-generated videos are still easily detectable, and a significant gap between real and fake videos persists. Furthermore, utilizing the Grad-CAM, we pinpoint systematic failures of AI-generated videos in appearance, motion, and geometry. Finally, we propose an Ensemble-of-Experts model that integrates appearance, optical flow, and depth information for fake video detection, resulting in enhanced robustness and generalization ability. Our model is capable of detecting videos generated by Sora with high accuracy, even without exposure to any Sora videos during training. This suggests that the gap between real and fake videos can be generalized across various video generative models. Project page: https://justin-crchang.github.io/3DCNNDetection.github.io/

Object detection is the key technique to a number of Computer Vision applications, but it often requires large amounts of annotated data to achieve decent results. Moreover, for pedestrian detection specifically, the collected data might contain some personally identifiable information (PII), which is highly restricted in many countries. This label intensive and privacy concerning task has recently led to an increasing interest in training the detection models using synthetically generated pedestrian datasets collected with a photo-realistic video game engine. The engine is able to generate unlimited amounts of data with precise and consistent annotations, which gives potential for significant gains in the real-world applications. However, the use of synthetic data for training introduces a synthetic-to-real domain shift aggravating the final performance. To close the gap between the real and synthetic data, we propose to use a Generative Adversarial Network (GAN), which performsparameterized unpaired image-to-image translation to generate more realistic images. The key benefit of using the GAN is its intrinsic preference of low-level changes to geometric ones, which means annotations of a given synthetic image remain accurate even after domain translation is performed thus eliminating the need for labeling real data. We extensively experimented with the proposed method using MOTSynth dataset to train and MOT17 and MOT20 detection datasets to test, with experimental results demonstrating the effectiveness of this method. Our approach not only produces visually plausible samples but also does not require any labels of the real domain thus making it applicable to the variety of downstream tasks.

Humans need to study only a handful of well-written textbooks to master a discipline and attempt its hardest problems. We argue that an ideal self-evolution method should share the same property, that is autonomously learning from raw training material for transferable problem-solving capability. However, we still lack a direct measurement for it. We introduce StudyBench, a controlled physics benchmark that directly measures how efficiently a self-evolution method converts training material into capability. We organise the test set into an Application Set, consisting of difficult textbook problems and evaluating absorption ability, and a Transfer Set, consisting of olympiad-level problems and evaluating transfer ability. Benchmarking representative self-evolution methods across three base models, we find that improvements on the Application Set rarely translate to the harder Transfer Set. A guidance ablation exposes a Guidance Gap: even the strongest method closes only a small fraction of what the same material unlocks when supplied as in-context guidance. Besides, every method hits a Compute Plateau, saturating well before exhausting its compute budget. The remaining gap is therefore a method problem rather than a data or compute problem. By offering a clean and controlled benchmark, StudyBench turns self-evolution progress from an open-ended pursuit into a measurable target for future research. Our code is released at https://github.com/thunlp/StudyBench.

Recent hybrid video generation models combine autoregressive temporal dynamics with diffusion-based spatial denoising, but their sequential, iterative nature leads to error accumulation and long inference times. In this work, we propose a distillation-based framework for efficient causal video generation that enables high-quality synthesis with extremely limited denoising steps. Our approach builds upon the Distribution Matching Distillation (DMD) framework and proposes a novel Adversarial Self-Distillation (ASD) strategy, which aligns the outputs of the student model's n-step denoising process with its (n+1)-step version at the distribution level. This design provides smoother supervision by bridging small intra-student gaps and more informative guidance by combining teacher knowledge with locally consistent student behavior, substantially improving training stability and generation quality in extremely few-step scenarios (e.g., 1-2 steps). In addition, we present a First-Frame Enhancement (FFE) strategy, which allocates more denoising steps to the initial frames to mitigate error propagation while applying larger skipping steps to later frames. Extensive experiments on VBench demonstrate that our method surpasses state-of-the-art approaches in both one-step and two-step video generation. Notably, our framework produces a single distilled model that flexibly supports multiple inference-step settings, eliminating the need for repeated re-distillation and enabling efficient, high-quality video synthesis.

Generative molecular design is shaped by simple proxy benchmarks for drug-like properties and models pretrained on large pharmaceutical datasets. This combination yields strong benchmark metrics but limits transferability to domains structurally distinct from drug discovery. To overcome this limitation and drive discovery toward real, scientifically grounded targets, we introduce the Nanotechnology Molecular Optimization (NMO) Benchmark, which bridges machine learning (ML) and quantum materials science. NMO acts simultaneously as a rigorous testbed for the ML community and a discovery engine for nanotechnology research. The suite replaces proxy oracles with quantum simulations and introduces strict protocols that prioritize scientific utility over leaderboard-oriented overfitting. The physics-based NMO tasks impose hard structural constraints and rugged fitness landscapes, posing fundamentally new requirements on generative models. Notably, advanced molecular optimization methods underperform much simpler approaches on the NMO tasks. We develop a new baseline method identifying the critical components to solve the NMO tasks, including a novel representation for modeling structural constraints and a domain-agnostic pretraining strategy to eliminate pharmaceutical dataset bias. Our results surpass state-of-the-art physical properties and reveal previously unknown structural motifs, offering new insights for the nanotechnology community and demonstrating that ML can drive genuine scientific discovery.

Are AI agents tools, co-authors, or researchers? We present a quantified case study (N=1): a physicist supervising an AI coding agent (Claude Code, Sonnet and Opus models) over 12 work days and 57 sessions to build CLAX-PT, a differentiable one-loop perturbation theory module in JAX. We documented and classified 15 supervision events by intervention level. The agent resolved ten autonomously by iterating against oracle tests. Two more by the physicist's domain knowledge. The three it could not -- all evaded oracle detection -- share a common property: the agent treated symptom reduction as root-cause resolution. It spent 33 of the 57 sessions adjusting coefficients within a code architecture that could not represent the target physics, and could not re-evaluate its CLASS-PT branch choice even when prompted to reconsider; only an injected physics concept (anisotropic BAO damping) triggered the redesign. Separately, the agent committed a calibrated correction that passed all oracle tests but corresponded to no quantity in the theory, predicting wrong values at any other cosmology. The fudge factor was caught and replaced within the same session. Three supervision practices proved critical for catching what oracle tests missed: testing at diverse parameter points beyond the fiducial calibration; shared changelogs that surfaced stalled exploration across sessions; and an explicit rule against unphysical numerical patches. In this case, supervision design, not model capability, determined whether the agent's output was trustworthy. Closing the gap would require agents that propose architectural alternatives rather than optimize within a given structure, and distinguish predictive adequacy from explanatory correctness -- capabilities not exhibited here, not obviously addressed by scaling alone. [Abridged.]

Synthesizing high-fidelity complex images from text is challenging. Based on large pretraining, the autoregressive and diffusion models can synthesize photo-realistic images. Although these large models have shown notable progress, there remain three flaws. 1) These models require tremendous training data and parameters to achieve good performance. 2) The multi-step generation design slows the image synthesis process heavily. 3) The synthesized visual features are difficult to control and require delicately designed prompts. To enable high-quality, efficient, fast, and controllable text-to-image synthesis, we propose Generative Adversarial CLIPs, namely GALIP. GALIP leverages the powerful pretrained CLIP model both in the discriminator and generator. Specifically, we propose a CLIP-based discriminator. The complex scene understanding ability of CLIP enables the discriminator to accurately assess the image quality. Furthermore, we propose a CLIP-empowered generator that induces the visual concepts from CLIP through bridge features and prompts. The CLIP-integrated generator and discriminator boost training efficiency, and as a result, our model only requires about 3% training data and 6% learnable parameters, achieving comparable results to large pretrained autoregressive and diffusion models. Moreover, our model achieves 120 times faster synthesis speed and inherits the smooth latent space from GAN. The extensive experimental results demonstrate the excellent performance of our GALIP. Code is available at https://github.com/tobran/GALIP.

In recent years, generative artificial intelligence (GenAI) has demonstrated remarkable capabilities in high-stakes domains such as molecular science. However, challenges related to the verifiability and structural privacy of its outputs remain largely unresolved. This paper focuses on the task of molecular toxicity repair. It proposes a structure-private verification framework - ToxiEval-ZKP - which, for the first time, introduces zero-knowledge proof (ZKP) mechanisms into the evaluation process of this task. The system enables model developers to demonstrate to external verifiers that the generated molecules meet multidimensional toxicity repair criteria, without revealing the molecular structures themselves. To this end, we design a general-purpose circuit compatible with both classification and regression tasks, incorporating evaluation logic, Poseidon-based commitment hashing, and a nullifier-based replay prevention mechanism to build a complete end-to-end ZK verification system. Experimental results demonstrate that ToxiEval-ZKP facilitates adequate validation under complete structural invisibility, offering strong circuit efficiency, security, and adaptability, thereby opening up a novel paradigm for trustworthy evaluation in generative scientific tasks.

Denoising in the sRGB image space is challenging due to large noise variability. Although end-to-end methods perform well, their effectiveness in real-world scenarios is limited by the scarcity of real noisy-clean image pairs, which are expensive and difficult to collect. To address this limitation, several generative methods have been developed to synthesize realistic noisy images from limited data. These approaches often rely on camera metadata during both training and testing to synthesize real-world noise. However, the lack of metadata or inconsistencies between devices restricts their usability. Therefore, we propose a novel framework called Prompt-Driven Noise Generation (PNG). This model is capable of acquiring high-dimensional prompt features that capture the characteristics of real-world input noise and creating a variety of realistic noisy images consistent with the distribution of the input noise. By eliminating the dependency on explicit camera metadata, our approach significantly enhances the generalizability and applicability of noise synthesis. Comprehensive experiments reveal that our model effectively produces realistic noisy images and show the successful application of these generated images in removing real-world noise across various benchmark datasets.

Independently trained domain specialists can be fused post-hoc into a single model that outperforms any individual specialist, and the gain is predictable: gain = 0.82 x divergence - 2.72 (R^2 = 0.856, n=6, 3-26% divergence). This enables practitioners to estimate cooperative value before committing compute. Below ~3.3% divergence, gains approach zero.In the KALAVAI protocol, contributors fine-tune copies of a shared checkpoint independently, then submit for lightweight MoE routing (500 steps). Gains are consistent: +7.72% at 410M (+/-0.02%, 3 seeds), +7.49% at 1B (+/-0.01%, 3 seeds), +6.53% at 6.9B, each over the best specialist. The router matches domain-oracle routing within <10^{-5} nats. Cross-lingual fusion (Tamil/Yoruba/Welsh/Code) achieves +21.76%, with Yoruba perplexity falling 41.9 to 7.7. A 20-contributor federation achieves +16.71% (+/-0.07pp, 3 seeds).Three requirements bound the protocol. Shared initialisation is necessary: checkpoint mismatch degrades routing. Frozen layers are optional below ~10,000 steps and beneficial beyond. Learned routing is essential: uniform averaging degrades by -1.2% vs. best specialist, while any trained router achieves oracle-optimal assignment.

In this work, we empirically show that updating pretrained LMs (350M, 1.3B, 2.7B) with just a few steps of Gradient Ascent Post-training (GAP) on random, unlabeled text corpora enhances its zero-shot generalization capabilities across diverse NLP tasks. Specifically, we show that GAP can allow LMs to become comparable to 2-3x times larger LMs across 12 different NLP tasks. We also show that applying GAP on out-of-distribution corpora leads to the most reliable performance improvements. Our findings indicate that GAP can be a promising method for improving the generalization capability of LMs without any task-specific fine-tuning.

Calibration is a fundamental property of a good predictive model: it requires that the model predicts correctly in proportion to its confidence. Modern neural networks, however, provide no strong guarantees on their calibration -- and can be either poorly calibrated or well-calibrated depending on the setting. It is currently unclear which factors contribute to good calibration (architecture, data augmentation, overparameterization, etc), though various claims exist in the literature. We propose a systematic way to study the calibration error: by decomposing it into (1) calibration error on the train set, and (2) the calibration generalization gap. This mirrors the fundamental decomposition of generalization. We then investigate each of these terms, and give empirical evidence that (1) DNNs are typically always calibrated on their train set, and (2) the calibration generalization gap is upper-bounded by the standard generalization gap. Taken together, this implies that models with small generalization gap (|Test Error - Train Error|) are well-calibrated. This perspective unifies many results in the literature, and suggests that interventions which reduce the generalization gap (such as adding data, using heavy augmentation, or smaller model size) also improve calibration. We thus hope our initial study lays the groundwork for a more systematic and comprehensive understanding of the relation between calibration, generalization, and optimization.

Designing proteins with desired functions or properties represents a core goal in synthetic biology and drug discovery. Recent advances in protein language models (PLMs) have enabled the generation of highly designable protein sequences, while preference alignment provides a promising way to steer designs toward desired functions and properties. Nevertheless, they often trigger catastrophic forgetting of pretrained knowledge, degrading basic designability and failing to balance multiple competing objectives. To address these issues, we draw inspiration from On-Policy Distillation (OPD), an advanced post-training method renowned for mitigating catastrophic forgetting through its mode-seeking nature. In this work, we propose ProteinOPD, a multi-objective preference alignment framework that can effectively balance multiple preference objectives while maintaining the inherent designability of PLMs. ProteinOPD adapts a pretrained PLM into preference-specific teachers and distills their knowledge into a shared student via token-level OPD on the student's own trajectories. During this process, the student is aligned to a unique normalized geometric consensus of weighted teachers while ensuring bounded optimization under conflicts. This bridges the gap for OPD in multi-objective/teacher alignment. Extensive experiments show that ProteinOPD achieves substantial gains on target preference objectives without compromising the designability, with an 8x training speedup over RL-based alignment competitors.

Advances in generative models have transformed the field of synthetic image generation for privacy-preserving data synthesis (PPDS). However, the field lacks a comprehensive survey and comparison of synthetic image generation methods across diverse settings. In particular, when we generate synthetic images for the purpose of training a classifier, there is a pipeline of generation-sampling-classification which takes private training as input and outputs the final classifier of interest. In this survey, we systematically categorize existing image synthesis methods, privacy attacks, and mitigations along this generation-sampling-classification pipeline. To empirically compare diverse synthesis approaches, we provide a benchmark with representative generative methods and use model-agnostic membership inference attacks (MIAs) as a measure of privacy risk. Through this study, we seek to answer critical questions in PPDS: Can synthetic data effectively replace real data? Which release strategy balances utility and privacy? Do mitigations improve the utility-privacy tradeoff? Which generative models perform best across different scenarios? With a systematic evaluation of diverse methods, our study provides actionable insights into the utility-privacy tradeoffs of synthetic data generation methods and guides the decision on optimal data releasing strategies for real-world applications.

We introduce a strategy for learning image registration without acquired imaging data, producing powerful networks agnostic to contrast introduced by magnetic resonance imaging (MRI). While classical registration methods accurately estimate the spatial correspondence between images, they solve an optimization problem for every new image pair. Learning-based techniques are fast at test time but limited to registering images with contrasts and geometric content similar to those seen during training. We propose to remove this dependency on training data by leveraging a generative strategy for diverse synthetic label maps and images that exposes networks to a wide range of variability, forcing them to learn more invariant features. This approach results in powerful networks that accurately generalize to a broad array of MRI contrasts. We present extensive experiments with a focus on 3D neuroimaging, showing that this strategy enables robust and accurate registration of arbitrary MRI contrasts even if the target contrast is not seen by the networks during training. We demonstrate registration accuracy surpassing the state of the art both within and across contrasts, using a single model. Critically, training on arbitrary shapes synthesized from noise distributions results in competitive performance, removing the dependency on acquired data of any kind. Additionally, since anatomical label maps are often available for the anatomy of interest, we show that synthesizing images from these dramatically boosts performance, while still avoiding the need for real intensity images. Our code is available at https://w3id.org/synthmorph.

The recent breakthroughs in OpenAI's GPT4o model have demonstrated surprisingly good capabilities in image generation and editing, resulting in significant excitement in the community. This technical report presents the first-look evaluation benchmark (named GPT-ImgEval), quantitatively and qualitatively diagnosing GPT-4o's performance across three critical dimensions: (1) generation quality, (2) editing proficiency, and (3) world knowledge-informed semantic synthesis. Across all three tasks, GPT-4o demonstrates strong performance, significantly surpassing existing methods in both image generation control and output quality, while also showcasing exceptional knowledge reasoning capabilities. Furthermore, based on the GPT-4o's generated data, we propose a classification-model-based approach to investigate the underlying architecture of GPT-4o, where our empirical results suggest the model consists of an auto-regressive (AR) combined with a diffusion-based head for image decoding, rather than the VAR-like architectures. We also provide a complete speculation on GPT-4o's overall architecture. In addition, we conduct a series of analyses to identify and visualize GPT-4o's specific limitations and the synthetic artifacts commonly observed in its image generation. We also present a comparative study of multi-round image editing between GPT-4o and Gemini 2.0 Flash, and discuss the safety implications of GPT-4o's outputs, particularly their detectability by existing image forensic models. We hope that our work can offer valuable insight and provide a reliable benchmark to guide future research, foster reproducibility, and accelerate innovation in the field of image generation and beyond. The codes and datasets used for evaluating GPT-4o can be found at https://github.com/PicoTrex/GPT-ImgEval.

Differentially private (DP) image synthesis aims to generate synthetic images from a sensitive dataset, alleviating the privacy leakage concerns of organizations sharing and utilizing synthetic images. Although previous methods have significantly progressed, especially in training diffusion models on sensitive images with DP Stochastic Gradient Descent (DP-SGD), they still suffer from unsatisfactory performance. In this work, inspired by curriculum learning, we propose a two-stage DP image synthesis framework, where diffusion models learn to generate DP synthetic images from easy to hard. Unlike existing methods that directly use DP-SGD to train diffusion models, we propose an easy stage in the beginning, where diffusion models learn simple features of the sensitive images. To facilitate this easy stage, we propose to use `central images', simply aggregations of random samples of the sensitive dataset. Intuitively, although those central images do not show details, they demonstrate useful characteristics of all images and only incur minimal privacy costs, thus helping early-phase model training. We conduct experiments to present that on the average of four investigated image datasets, the fidelity and utility metrics of our synthetic images are 33.1% and 2.1% better than the state-of-the-art method.

Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule generation suffer from poor synthesizability of candidate compounds, making experimental validation difficult. In this paper we propose Reaction-GFlowNet (RGFN), an extension of the GFlowNet framework that operates directly in the space of chemical reactions, thereby allowing out-of-the-box synthesizability while maintaining comparable quality of generated candidates. We demonstrate that with the proposed set of reactions and building blocks, it is possible to obtain a search space of molecules orders of magnitude larger than existing screening libraries coupled with low cost of synthesis. We also show that the approach scales to very large fragment libraries, further increasing the number of potential molecules. We demonstrate the effectiveness of the proposed approach across a range of oracle models, including pretrained proxy models and GPU-accelerated docking.

Machine learning can accelerate molecular discovery by designing molecules and planning experiments. However, many scientific challenges demand molecules with very rare properties, and in this sparse setting, existing algorithms offer little gain over random guessing. We propose a method to efficiently search large regions of molecular space using algorithmically controlled stochastic synthesis. Rather than design, make and test individual molecules, we design and make complex mixtures, test them as a pool, then deconvolute the molecule-activity map. We optimize synthesis to encode maximal information. Theoretically, this approach can reduce the number of experiments required to find the optimal molecule among d candidates from O(d) to O(log d) or O(1). In simulation, on estimated protein fitness landscapes, it finds active molecules with an order of magnitude fewer experiments than existing Bayesian optimization methods.

Replicated databases and permissioned blockchain systems rely on Byzantine Fault-Tolerant (BFT) consensus to maintain a globally consistent order of transactions across distributed replicas. These protocols preserve safety even under asynchrony, as they commit a transaction only after agreement among a strong quorum of replicas. During network partitions, however, when no strong quorum is reachable, they lose liveness and cannot make useful progress. In this paper, we present Cassandra, a consensus protocol that enables partial progress without sacrificing safety. Cassandra achieves this through a two-tier certification framework that decouples availability from commitment, allowing each partition to extend its own chain and reconcile these chains once the network is restored. To support this, Cassandra introduces a pacemaker that advances views without requiring a strong quorum and calibrates each replica's timeout off the critical path. Our evaluation results show that Cassandra remains competitive with state-of-the-art BFT protocols under stable conditions, sustaining 900K TPS at 16 replicas and 480K TPS at 104 replicas, with latency ranging from 0.31s at 16 replicas to 0.75s at 104 replicas. Under severe partitions, Cassandra maintains non-zero speculative throughput through PoA-backed progress, preserving work that can be reconciled once connectivity is restored.

The interest of the deep learning community in image synthesis has grown massively in recent years. Nowadays, deep generative methods, and especially Generative Adversarial Networks (GANs), are leading to state-of-the-art performance, capable of synthesizing images that appear realistic. While the efforts for improving the quality of the generated images are extensive, most attempts still consider the generator part as an uncorroborated "black-box". In this paper, we aim to provide a better understanding and design of the image generation process. We interpret existing generators as implicitly relying on sparsity-inspired models. More specifically, we show that generators can be viewed as manifestations of the Convolutional Sparse Coding (CSC) and its Multi-Layered version (ML-CSC) synthesis processes. We leverage this observation by explicitly enforcing a sparsifying regularization on appropriately chosen activation layers in the generator, and demonstrate that this leads to improved image synthesis. Furthermore, we show that the same rationale and benefits apply to generators serving inverse problems, demonstrated on the Deep Image Prior (DIP) method.

Voting over multiple LLM responses is a common primitive in test-time scaling and ensemble inference. Collecting more responses can expand the candidate pool and increase the chance that a correct answer is discovered. Under a fixed call budget, a discovered answer still needs to accumulate enough support within the remaining calls to become the final plurality winner, creating a discovery-to-decision gap. In this work, we characterize this gap through the realized vote state and remaining call budget. We derive a sharp recoverability threshold and show that, as sampling proceeds, the observed candidate set can only expand while the set of reachable endpoint winners can only contract, inducing a candidate-level conversion window. Under a specified iid response law, the same state yields exact finite-horizon endpoint probabilities. We further show that merging wrong-answer identities preserves single-call correctness and cannot improve plurality accuracy, and that the effect of redistributing wrong-answer probability depends on the realized vote state. Singleton reachability yields a gold-free exact locking certificate. For a known answer universe, its first trigger is the earliest prefix at which all admissible continuations yield the same fixed-budget output. Empirically, most discovered-but-unselected correct answers lose reachability only after discovery. In a controlled Word16 study, input permutation improves raw-plurality accuracy by 21.1 points with essentially unchanged single-call correctness. Exact locking saves 28-30% of calls at a 16-call budget while preserving every fixed-budget output.

Synthesis planning aiming to find pathways of reactions for a target molecule is one of the most important and challenging tasks in drug discovery. Recent progress has produced both specialized deep-learning retrosynthesis systems and general-purpose large language models, but objective comparison remains difficult due to the lack of flexible, chemically interpretable benchmarking protocols. In the current study, we are introducing the URSA (Utilitarian RetroSynthesis Assessment) evaluation framework that provides the opportunity to benchmark the synthetic routes not only from a formal perspective, such as convergence to commercially available starting materials, but also from a chemical plausibility perspective, mimicking the way expert chemists evaluate the reactions and routes. The study covers a comprehensive evaluation of both conventional end-to-end retrosynthesis solutions and LLMs for the synthesis planning task on a set of novel, diverse target molecules with undisclosed synthetic routes, which represent realistic tasks in the daily drug design routine. We find that while LLMs can support high-level strategic planning, they currently underperform specialized retrosynthesis models in reliably solving synthesis planning tasks.

The Model Context Protocol (MCP) standardizes how AI agents discover and invoke external tools, with over 10,000 active servers and 97 million monthly SDK downloads as of early 2026. Yet MCP does not yet standardize how agents safely operate those tools at production scale. Three protocol-level primitives remain missing: identity propagation, adaptive tool budgeting, and structured error semantics. This paper identifies these gaps through field lessons from an enterprise deployment of an AI agent platform integrated with a major cloud provider's MCP servers (client name redacted). We propose three mechanisms to fill them: (1) the Context-Aware Broker Protocol (CABP), which extends JSON-RPC with identity-scoped request routing via a six-stage broker pipeline; (2) Adaptive Timeout Budget Allocation (ATBA), which frames sequential tool invocation as a budget allocation problem over heterogeneous latency distributions; and (3) the Structured Error Recovery Framework (SERF), which provides machine-readable failure semantics that enable deterministic agent self-correction. We organize production failure modes into five design dimensions (server contracts, user context, timeouts, errors, and observability), document concrete failure vignettes, and present a production readiness checklist. All three algorithms are formalized as testable hypotheses with reproducible experimental methodology. Field observations demonstrate that while MCP provides a solid protocol foundation, reliable agent tool integration requires infrastructure-level mechanisms that the specification does not yet address.