The motivation for this paper is the investigation of the trade-offs implicit in probabilistic models used in machine learning. Models are often used to make predictions in the form of conditional probabilities. However, a pair of conditional distributions p(x|y) and p(y|x) may not be compatible with any joint distribution p(x,y). Given two such conditionals, determining if there exists a compatible joint is known as the compatibility problem. For discrete random variables, when the conditionals are encoded as probability tables, the compatibility problem has a known solution, which is computationally tractable. In this paper, we formalise and study a succinct version of the problem, encoding conditional distributions as arithmetic circuits. This is applicable to practical applications of probabilistic modelling in high-dimensional settings, including neural network models. We show that, for succinct circuit representations of conditionals, the compatibility problem is intractable. In the case that all probabilities are non-zero, the problem is co-NP-complete. In the case that probabilities can be zero, we give examples to demonstrate that several notions of compatibility can be distinguished, and we prove that multiple versions of the problem are PSPACE-complete. Furthermore, we show that, assuming the polynomial hierarchy does not collapse, there exist compatible succinct conditionals whose joint cannot be expressed succinctly. Implications of these results for probabilistic modelling and machine learning are discussed.
Efficient evaluation changes the protocol used to support claims about model behavior, yet it is rarely tested whether those claims remain stable after the evaluation itself is made cheaper. We stress-test conclusion robustness in responsible-AI benchmarking by evaluating three dense and mixture-of-experts models on BBQ and BBQ-V under seven conditions spanning batching, quantization, benchmark reduction, and their combinations. Rather than treating preserved aggregate accuracy as sufficient, we compare accuracy, bias severity and prevalence, reasoning quality, subgroup behavior, subset-membership stability, runtime, and measured GPU energy against a full-benchmark BF16 baseline. Larger batching keeps accuracy within 0.35 percentage points of baseline and produces comparatively small subgroup changes, while reducing energy in five of six model--dataset settings. INT8 largely preserves quality but uses 1.79--4.26$\times$ baseline energy. INT4 causes larger, model- and context-dependent changes. Reduced benchmarks provide the most consistent savings, but very small subsets are substantially more sensitive to which items are retained. Efficient evaluation should therefore be treated as a measurement intervention whose validity must be checked across the conclusions the benchmark is intended to support. Our project website is https://vectorinstitute.github.io/sustainable-rai-evaluation/ and the code is available at https://github.com/VectorInstitute/sustainable-rai-evaluation.
Ahmed El Kady, Aravind Narayanan, Rehana Noorani et al.· 0 citations
Sycophantic agreement refers to a behavior in which language models excessively affirm the user, often at the cost of factual accuracy. Although sycophantic agreement is a well-known failure of model alignment, there is limited understanding of how it emerges from model training. In this work, we demonstrate that sycophantic agreement can emerge as an unintended consequence of widely used contrastive preference optimization objectives. Using the OLMo 3 post-training pipeline, we show that, for various pairs of teacher models across three families, there is a strong correlation between the log-ratio of the teacher model sycophantic agreement rates and the resulting student model sycophantic agreement rate. We further demonstrate that this unintended transfer is not limited to DPO but also occurs across 6 other preference optimization objectives. To understand whether this effect can be attributed to particular training examples, we analyze the preference data and find that the sycophancy signal is diffused across the entire dataset rather than concentrated in a sparse set of examples: each example appears neutral, i.e., there are no explicit instances of sycophantic agreement, and filtering based on probe-based data attribution or logit-linear selection fails to mitigate sycophancy without removing a large portion of the dataset. Overall, our findings suggest that the teacher models used to generate preference data can interact with alignment training objectives in unexpected ways, generalizing to undesirable and potentially harmful behaviors like sycophantic agreement.
Camila Blank, Zhuofan Ying, Christopher Potts et al.· 0 citations
Large language models decode by projecting hidden states through a large vocabulary head at every step. This operation is computationally costly and forces all reasoning to be expressed in discrete tokens. We introduce Soft Latent Thinking, a method that replaces the LM head during reasoning with a lightweight projector, enabling autoregressive rollout in embedding space where reasoning steps remain continuous rather than tokenized. Experiments on DeepSeek-Qwen-1.5B and LLaMA-3.2-3B show that Soft Latent Thinking consistently improves pass@k across all k while reducing per-step compute during chain-of-thought. Our method achieves the highest pass@32 among all soft-thinking approaches, demonstrating that effective reasoning can be carried out in continuous space without discrete token generation.
Nikita Koriagin, Yaroslav Aksenov, George Bredis et al.· 0 citations
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Learning generalizable algorithmic computations remains a challenge for neural networks, as reflected in persistent failures on compositional and length generalization benchmarks. We present a provably correct, transformer parameterization (with only 280 learnable parameters for Boolean algebra tasks) capable of learning and evaluating problems of any depth or length. We assume inputs are fully parenthesized, well-formed expressions. Our approach conceptualizes algorithmic tasks as circuit models embedded in transformers, enabling depth-1 circuit reduction in a single forward pass. To achieve depth generalization, we introduce a positional encoding that tracks each gate's depth within the circuit, enabling the model to identify evaluable subexpressions at each iteration via masked hard attention, with $O(n)$ per-iteration complexity via linear attention. Combined with an autonomous halting criterion, the model terminates after $d$ iterations for problems of depth $d$, yielding $O(n \cdot d)$ total complexity. We show that training on shallow problem instances (depth 1 and depth 2) effectively recovers interpretable parameters that {\em snap} into place, resulting in exact length generalization. Though we establish that our construction provably evaluates Boolean expressions -- a universal symbolic computation -- of arbitrary length perfectly, in other experiments we also demonstrate that our transformer variant can learn and generalize perfectly (100% accuracy) on other common length generalization benchmarks, including modular arithmetic and ListOps.
Takuya Ito, Ruchir Puri, Murray Campbell et al.· 0 citations
On-policy distillation (OPD) offers dense token-level supervision as an alternative to the sparse outcome-level advantages of reinforcement learning with verifiable rewards (RLVR). However, the teacher scores student-generated trajectories that are inherently off-policy for it, so the reliability of its supervision, and hence the source of the student's improvement, remains unclear. We quantitatively analyze teacher supervision during OPD training and find substantial noise whose prevalence increases with teacher scale. Surprisingly, the student policy is insensitive to such noise, converging to comparable performance regardless of whether noisy supervision is retained or removed. Does OPD distill at all? By analyzing what drives its gains, we find that learning concentrates on low log-probability tokens, and using a single fixed negative advantage matches the performance of teacher-provided ones. This suggests that OPD works largely by suppressing low log-probability tokens, which requires no teacher. These findings motivate On-Policy Self-Adaptation (OPSA), a supervision-free method using entropy-adaptive negative advantages. It assigns stronger learning signals to high-entropy positions, suppressing tail tokens, and evenly redistributing probability mass among head tokens. Compared with the base \texttt{Qwen3-1.7B}, OPSA improves Avg@32 by 35.41 points on AIME24, corresponding to a 263\% relative gain, and more than doubles Pass@32 across all three benchmarks. It also outperforms OPD by 16.77 points in Avg@32 on AIME24. Extensive experiments and analyses across model families and tasks further demonstrate its effectiveness and generalizability.
Rotational symmetry is one of the most important structural principles in machine learning on 3D data. In applications ranging from physics and materials science to 3D computer vision, predictions should not depend on an arbitrary choice of coordinate frame. Rotational equivariance captures this requirement mathematically by enforcing that a rotation of the input induces a corresponding transformation of the model output. This tutorial provides a comprehensive introduction to rotational equivariance, starting from the physical and geometric intuition behind coordinate independence and building up the necessary machinery from geometric deep learning, group theory, and representation theory. We introduce message passing on Euclidean graphs, group actions and representations, spherical harmonics, Wigner matrices, tensor products, and Clebsch-Gordan decomposition, and explain how these ingredients give rise to modern equivariant architectures. We then survey the principal strategies for incorporating rotational equivariance in deep learning, including group convolutions, internal tensorial representations, and canonicalization-based methods, and discuss their practical strengths and limitations. The tutorial aims to lower the barrier to the subject by connecting the underlying mathematics to practical model design, by unifying ideas that are often expressed in different formal languages, and by helping practitioners choose among competing approaches through a clear discussion of their trade-offs.
While low-rank adaptation (LoRA) is widely used for parameter-efficient model adaptation, how to regularize its training dynamics for stable and effective optimization remains underexplored. Because LoRA initializes the up-projection to zero, its early optimization dynamics are largely governed by the down-projection. Building on this observation, we introduce Normalized Low-Rank Adaptation (NoRA), a simple yet effective method that normalizes the down-projection matrices during training. We further show that the same normalization can be applied only at initialization, improving standard LoRA without requiring repeated normalization throughout training. Across pretraining, supervised finetuning, and reinforcement learning, NoRA consistently accelerates convergence, improves performance and training stability, and mitigates catastrophic forgetting. These benefits require neither additional trainable parameters nor inference-time computation, making NoRA a simple and broadly applicable enhancement to LoRA.
Jiale Kang, Ziyin Yue, Zheng Zhan et al.· 0 citations
Designing models that generalize effectively in low- to medium-data regimes remains a primary challenge in medical machine learning, particularly for physiological time-series classification. While tabular foundation models such as TabPFN offer an attractive alternative to conventional fine-tuning through in-context learning, they are not designed to capture the temporal dependencies inherent to physiological signals. ~In this paper, we introduce TSPFN, a foundation model that redesigns TabPFN's architecture for time series data. TSPFN integrates structured temporal representations and positional embeddings to capture intra-sample temporal and channel dependencies. To fully leverage its spatio-temporal design, the model is pretrained on 140,000 real-world physiological time series across multiple medical domains. This yields a unified, generalizable framework capable of learning the specificities of medical time series. Experiments across diverse physiological benchmarks demonstrate that TSPFN consistently outperforms standard tabular baselines and TabPFN, and achieves superior cross-domain generalization compared to specialized deep time-series models. All our experiments, ablation studies, and pre-processing scheme are publicly available at https://github.com/Jeremstym/TSPFN
J\'er\'emie Stym-Popper, Cl\'ement Rambour, Federica Granese et al.· 0 citations
Structure-based drug design (SBDD) requires ligands that satisfy both 3D target affinity and 1D chemical validity. Existing controllable generation methods often rely on task-specific fine-tuning or externally imposed sampling-time guidance, adding cost and potentially conflicting with evolving 3D geometric constraints. We propose LiFT, a language-informed cross-modal framework built on Flow Matching for trend-guided 3D molecular generation across both de novo design and scaffold hopping. LiFT uses a "Sense-Evolve-Assemble" agent to generate target-aware SMILES as intermediate chemical conditions, from which a pre-trained chemical foundation model extracts continuous semantic priors. These priors are integrated into geometric generation through a lightweight semantic projector with zero-initialized adaptive normalization for stable cross-modal conditioning. We further introduce a Self-Conditioned Decoupled Router (SCDR), which modulates the velocity field according to intermediate structural states during ODE integration. Experiments on Cross-Docked2020 show that LiFT achieves competitive distribution matching while improving medicinal chemistry metrics and maintaining competitive structural validity under task-steering settings without additional generator fine-tuning. Our results suggest that language-derived chemical priors provide effective trend-level guidance for 3D molecular generation. Code and released artifacts are available at https://github.com/kasurl/LiFT.
Tianyu Gao, Zhikai Su, Jiashu Li et al.· 0 citations
Activation steering has emerged as a lightweight approach for controlling model refusal at inference time. A growing line of research explores trainable rotations of activations to develop geometrically principled intervention mechanisms. However, existing techniques rely on auxiliary constructs, such as refusal vectors, to define these rotations. In our work, we develop a self-contained methodology for learning parameter-efficient rotational transformations based on Riemannian optimization. We empirically validate the proposed scheme, demonstrating its superiority in intervention efficiency. An extensive ablation study highlights the importance of key design choices in our method. Our results identify the proposed rotation-based steering scheme as a promising direction for more reliable control over the behavior of LLMs.
Kirill Bunin, Dmitry Bylinkin, Vladimir Aletov et al.· 0 citations
Modularity in deep neural networks has been proposed as a means of improving both interpretability and training by promoting disentangled representations and reducing redundancy. In this work, we study the emergence of modular structure through competition dynamics between groups of neurons during training. We introduce a method that (i) maintains near-baseline accuracy, (ii) induces usage-based modularity by sparsely routing inputs to neuron groups, and (iii) encourages specialization of these modules, such that their activations are correlated with input classes. We evaluate the proposed approach on ImageNet-100 and CIFAR-100 and show that with it, specialized modules emerge without module-level supervision. These modules capture a meaningful high-level structure in the data, with individual modules responding to semantic categories (e.g., dogs or vehicles). We also study the emergence of a hierarchical partition of sub-tasks depending on the number of modules. Our results suggest that competitive dynamics can serve as a simple mechanism for inducing functional modularity in standard architectures.
A new machine-learning framework aims to improve the success rate of computational protein design while moving away from results that reproduce sequences found in nature.
MIT News · Artificial Intelligence· news.mit.eduAug 24, 2026
A new method for surgically removing training examples from a model reveals that as datasets grow, the link between what a model learns and what it produces dissolves.
