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Nov 13

Mirror-Score: Calibrated, Inference-only Scoring Exposes the Limits of Sequence-compatibility Ranking in D-peptide Design

D-peptides combine protease resistance with high target specificity, but computational design of D-peptide binders remains immature. Mirror-Peptidizer introduced an in silico mirror-image screening pipeline using target reflection, backbone generation, and ProteinMPNN sequence design, but its raw ProteinMPNN negative log-likelihood (NLL) ranking was not validated against measured affinities, and only 4 of 9 tested MDM2 designs bound detectably. We introduce Mirror-Score, a calibrated, inference-only scoring framework for heterochiral D-peptide/L-protein complexes, and a public benchmark of 31 crystal complexes across four target families, including 18 with literature-verified affinities. Raw ProteinMPNN NLL is not a valid affinity ranker: its pooled Spearman correlation with affinity is 0.19, and correlations reverse between MDM2/CHIP (+0.62) and gp41 (-0.70). We therefore evaluate Boltz-2 mirror-space cofolding confidence. For the complete viral-entry family (7 structures representing 3 peptides), interface predicted local distance difference test (pLDDT) achieves structure-level leave-one-out Spearman rho = 0.90 (p = 0.006) and correctly orders all three peptides by affinity, whereas NLL fails (structure-level rho = 0.18). Because only three independent chemotypes are represented, this result indicates directional consistency rather than a statistically validated predictor. Cross-family calibration does not transfer at current sample sizes, supporting family-matched calibration as the practical deployment mode. We also specify a prospective design protocol for the antimicrobial-resistance targets LasR and LecB from Pseudomonas aeruginosa, including mirrored structures, ligand-derived hotspot maps, diffusion-model-ready inputs, and Mirror-Score ranking. Code, benchmark data, structures, and analysis scripts are openly available at https://github.com/Jiadalee/Mirror-Score.

  • 1 authors
·
Sep 27

Critique to Verify: Accurate and Honest Test-Time Scaling with RL-Trained Verifiers

Test-time scaling via solution sampling and aggregation has become a key paradigm for improving the reasoning performance of Large Language Models (LLMs). While reward model selection is commonly employed in this approach, it often fails to identify minority-yet-correct answers, which limits its effectiveness beyond that of simple majority voting. We argue that this limitation stems from a lack of informative critique signals during verifier training. To bridge this gap, we introduce Mirror-Critique, a framework that trains a verifier with informative critiques. Our key insight is to leverage the rich critique signal by contrasting model-generated solutions with ground-truth solutions. We deploy a small instruction-tuned model to synthesize high-quality critique data with rejection sampling that teaches the verifier not only what is wrong, but also why. The synthetic data is used to cold-start the LLMs in the RLVR process to further improve the verification ability. The resulting Mirror-Verifier is deployed to evaluate candidate solutions by generating multiple critiques per solution, aggregating them into a verify score used for weighted voting or selective abstention. The experimental results show that our Mirror-Verifier significantly outperforms majority voting in terms of solution accuracy and also improves the solver's honesty to recognize and abstain from answering beyond its capability boundaries.

  • 7 authors
·
Sep 27, 2025

On KL-Regularized Policy Optimization

Asynchronous reinforcement learning (RL) for large language model (LLM) agents trains one policy on trajectories generated by another: rollouts come from stale checkpoints, and the inference engine's probabilities differ from the trainer's even at identical parameters. Standard remedies either clip importance ratios, which biases the update, or, as in GRPO, sample a group of responses per prompt, which is costly when episodes are long. We propose KL-Regularized Policy Optimization (KLPO), a framework that anchors the KL regularizer at the sampler. The regularized improvement step then has a closed-form Gibbs solution, and KLPO fits its log-ratio optimality condition by least squares on the sampler's own trajectories, so the sampler probability enters through a log-ratio and no importance weights are needed. Profiling out the regression intercept replaces the intractable log-partition function with the signal's sampler mean plus a sampler-to-trainer KL divergence. For token-level policy mirror descent targets, we show that the resulting gradient can be computed from terminal returns without a critic, via sampler-centered scores or a single trajectory residual, even under stochastic tool outputs. We further prove that independent Monte Carlo estimates of the KL term keep these gradients unbiased, derive the exact KL gap of cheaper top-K and binary approximations, and show that SPPO, GPO, REBEL, and BPO arise as special cases of KLPO. The result is a critic-free update that uses one rollout per prompt and requires neither a learned normalizer nor a group of responses.

math-ai math-ai
·
Oct 5 2

S-Space: Exploring Spatial Workspace in Multimodal Language Models

Multimodal language models (MLLMs) exhibit promising spatial reasoning capabilities, yet the internal mechanisms supporting them remain poorly understood. We uncover S-Space, a linear representation subspace in which object-token representations encode continuous coordinates along horizontal, vertical, and distance axes. Although we identify these axes by differentiating spatial-answer scores with respect to object-token activations, S-Space is intrinsic rather than induced by specific data or prompts, remaining readable under non-spatial questions. We show that S-Space functions as an internal spatial workspace of MLLMs. Perception encodes object locations into it, forming spatial representations that can be directly read out to support accurate spatial judgments. Internal reasoning transforms it for changing viewpoints. Verbal responses selectively access it, evidenced by causal interventions that alter spatial judgments while largely preserving non-spatial responses. Case studies further show that S-Space assigns locations to unseen entities and the observer, and connects physical directions with abstract linguistic meanings, suggesting both the capabilities and limitations of large-scale language training. Finally, we use S-Space as a diagnostic tool for spatial reasoning failures. Direction-word readouts reveal systematic coupling between cardinal and image-relative reference frames. More importantly, a perception-computation decomposition exposes a key bottleneck: MLLMs can form capable spatial representations, yet fall short in the spatial transformations required to reason reliably across viewpoint changes.

MirroS-Lab MirroS
·
Oct 9 2

The Mirror Design Pattern: Strict Data Geometry over Model Scale for Prompt Injection Detection

Prompt injection defenses are often framed as semantic understanding problems and delegated to increasingly large neural detectors. For the first screening layer, however, the requirements are different: the detector runs on every request and therefore must be fast, deterministic, non-promptable, and auditable. We introduce Mirror, a data-curation design pattern that organizes prompt injection corpora into matched positive and negative cells so that a classifier learns control-plane attack mechanics rather than incidental corpus shortcuts. Using 5,000 strictly curated open-source samples -- the largest corpus supportable under our public-data validity contract -- we define a 32-cell mirror topology, fill 31 of those cells with public data, train a sparse character n-gram linear SVM, compile its weights into a static Rust artifact, and obtain 95.97\% recall and 92.07\% F1 on a 524-case holdout at sub-millisecond latency with no external model runtime dependencies. On the same holdout, our next line of defense, a 22-million-parameter Prompt Guard~2 model reaches 44.35\% recall and 59.14\% F1 at 49\,ms median and 324\,ms p95 latency. Linear models still leave residual semantic ambiguities such as use-versus-mention for later pipeline layers, but within that scope our results show that for L1 prompt injection screening, strict data geometry can matter more than model scale.

  • 1 authors
·
Mar 12

PBSCR: The Piano Bootleg Score Composer Recognition Dataset

This article motivates, describes, and presents the PBSCR dataset for studying composer recognition of classical piano music. Our goal was to design a dataset that facilitates large-scale research on composer recognition that is suitable for modern architectures and training practices. To achieve this goal, we utilize the abundance of sheet music images and rich metadata on IMSLP, use a previously proposed feature representation called a bootleg score to encode the location of noteheads relative to staff lines, and present the data in an extremely simple format (2D binary images) to encourage rapid exploration and iteration. The dataset itself contains 40,000 62x64 bootleg score images for a 9-class recognition task, 100,000 62x64 bootleg score images for a 100-class recognition task, and 29,310 unlabeled variable-length bootleg score images for pretraining. The labeled data is presented in a form that mirrors MNIST images, in order to make it extremely easy to visualize, manipulate, and train models in an efficient manner. We include relevant information to connect each bootleg score image with its underlying raw sheet music image, and we scrape, organize, and compile metadata from IMSLP on all piano works to facilitate multimodal research and allow for convenient linking to other datasets. We release baseline results in a supervised and low-shot setting for future works to compare against, and we discuss open research questions that the PBSCR data is especially well suited to facilitate research on.

  • 3 authors
·
Jan 30, 2024

Intelligence from Learnable Novelty

Intelligence appears under different names in different fields: as data compression in statistics and machine learning, as universal computation in dynamical systems, and as adaptive behavior in agents. Each field carries its own objective, and the two most influential drives often fail in mirror image: novelty search, which seeks surprise, is transfixed by a noisy television screen, while the free-energy principle, which avoids surprise, is most content in a dark room. Both failures have a single cause: each objective treats as one quantity the surprise a learner can convert into knowledge and the surprise it never can. Here we show that the learnable part of that information, which we call learnable novelty, yields the seemingly disparate projections of intelligence, and we give a closed-form estimator of it built on a cheap and differentiable reservoir computer. Used as a measure, with no supervision of any kind, the estimator recovers decades of complexity classification, ranking the Turing-complete rule~110 highest among the elementary cellular automata. Used as an objective, its gradient carries a neural cellular automaton from simple dynamics into a regime of solitons, the traveling, colliding structures by which rule~110 computes, as well as organizes the representation of an image encoder around the ten digit classes of MNIST, fully unsupervised: no label ever enters training. Handed to a reinforcement-learning agent as an intrinsic reward, it supplies the exploration that task rewards lack, improving on the task baseline in nine of ten environments and collapsing in none. Complexity generation, abstraction, and exploration, ordinarily pursued with unrelated objectives in separate fields, thus emerge from ascent on one differentiable quantity, and the projections of intelligence gain a common quantitative footing.

  • 2 authors
·
Jul 19

SteerBench-Work: A Benchmark for Agent Steering at Action Boundaries

Long-running LLM agents act through tools, and a single step can send an email, merge a pull request, or wire a payment. The steering decision is the pre-commit choice at that boundary: proceed, or hold for human or policy review. We introduce SteerBench-Work, an incident-anchored, bidirectional benchmark for that decision in workplace agents across developer operations, customer service, finance, legal, medical, HR, and security. Release v2026-05 contains 106 scenarios anchored in public incidents, paired evidence-reversed mirrors, and calibration controls, with labels split nearly evenly between proceed and hold so the two error directions get near-identical numbers of chances. A model sees the proposed action and the available evidence, returns a gate decision, and is scored on whether it crosses or holds the boundary correctly. Across 30 model conditions the failures run almost entirely in one direction: models wrongly hold authorized, evidence-cleared work on 28.1% of opportunities and wrongly allow unsafe work on 1.0%. The hardest cases are risk-resolved commits, where signed or structured evidence has already cleared a real risk trigger, and models score markedly worse on evidence-reversed mirrors of famous incidents (63.8%) than on the incidents themselves (98.5%). General capability is not the same as steering calibration: higher-capability models often over-refuse at the commit boundary, and more reasoning can repair a weak gate while leaving a calibrated one flat. The public leaderboard is at steerbench.com.

  • 2 authors
·
Aug 11